Sodium in PDB 1qch: Structure, Dynamics and Hydration of the Nogalamycin- D(Atgcat)2 Complex Determined By uc(Nmr) and Molecular Dynamics Simulations in Solution

The binding sites of Sodium atom in the Structure, Dynamics and Hydration of the Nogalamycin- D(Atgcat)2 Complex Determined By uc(Nmr) and Molecular Dynamics Simulations in Solution (pdb code 1qch). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 9 binding sites of Sodium where determined in the Structure, Dynamics and Hydration of the Nogalamycin- D(Atgcat)2 Complex Determined By uc(Nmr) and Molecular Dynamics Simulations in Solution, PDB code: 1qch:
Jump to Sodium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Sodium binding site 1 out of 9 in the Structure, Dynamics and Hydration of the Nogalamycin- D(Atgcat)2 Complex Determined By uc(Nmr) and Molecular Dynamics Simulations in Solution


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Structure, Dynamics and Hydration of the Nogalamycin- D(Atgcat)2 Complex Determined By uc(Nmr) and Molecular Dynamics Simulations in Solution within 5.0Å range: probe atom residue distance (Å) B Occ A:Na16 b:0.0 occ:1.00 O B:HOH1305 2.3 0.0 1.0 O A:HOH1696 2.3 0.0 1.0 O A:HOH2229 2.3 0.0 1.0 O A:HOH1143 2.4 0.0 1.0 H1 B:HOH1305 2.8 0.0 1.0 H1 A:HOH2187 2.8 0.0 1.0 H2 A:HOH2229 2.9 0.0 1.0 H2 A:HOH1143 2.9 0.0 1.0 H1 A:HOH1696 3.0 0.0 1.0 H2 A:HOH1696 3.1 0.0 1.0 H1 A:HOH1143 3.1 0.0 1.0 H1 A:HOH2229 3.2 0.0 1.0 H2 B:HOH1305 3.2 0.0 1.0 O A:HOH2187 3.2 0.0 1.0 O B:HOH450 3.8 0.0 1.0 H2 A:HOH1763 3.9 0.0 1.0 H2 A:HOH2187 4.0 0.0 1.0 H1 A:HOH1441 4.0 0.0 1.0 O A:HOH1441 4.0 0.0 1.0 H1 A:HOH1245 4.0 0.0 1.0 H2 B:HOH450 4.1 0.0 1.0 H1 A:HOH388 4.3 0.0 1.0 O A:HOH2004 4.4 0.0 1.0 H1 A:HOH1763 4.4 0.0 1.0 H2 A:HOH1905 4.5 0.0 1.0 H1 B:HOH450 4.5 0.0 1.0 H2 A:HOH388 4.6 0.0 1.0 H2 B:HOH1343 4.6 0.0 1.0 O A:HOH1663 4.6 0.0 1.0 O A:HOH1245 4.7 0.0 1.0 O A:HOH1763 4.7 0.0 1.0 O A:HOH1905 4.7 0.0 1.0 H2 A:HOH1245 4.7 0.0 1.0 H2 A:HOH1883 4.7 0.0 1.0 H1 A:HOH2004 4.8 0.0 1.0 H2 A:HOH1441 4.9 0.0 1.0 O B:HOH145 4.9 0.0 1.0 O A:HOH1883 4.9 0.0 1.0 O A:HOH1086 4.9 0.0 1.0 O B:HOH1343 4.9 0.0 1.0 H1 A:HOH793 4.9 0.0 1.0 H1 A:HOH1663 5.0 0.0 1.0 O A:HOH388 5.0 0.0 1.0

Sodium binding site 2 out of 9 in the Structure, Dynamics and Hydration of the Nogalamycin- D(Atgcat)2 Complex Determined By uc(Nmr) and Molecular Dynamics Simulations in Solution


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Structure, Dynamics and Hydration of the Nogalamycin- D(Atgcat)2 Complex Determined By uc(Nmr) and Molecular Dynamics Simulations in Solution within 5.0Å range: probe atom residue distance (Å) B Occ A:Na21 b:0.0 occ:1.00 O2 B:DT8 2.4 0.0 1.0 O B:HOH200 2.4 0.0 1.0 O2 A:DT6 2.4 0.0 1.0 O B:HOH1153 2.4 0.0 1.0 O B:HOH1045 2.5 0.0 1.0 O A:HOH366 2.5 0.0 1.0 H2 B:HOH1153 2.9 0.0 1.0 H2 B:HOH200 3.0 0.0 1.0 H2 A:HOH1218 3.0 0.0 1.0 H1 A:HOH366 3.0 0.0 1.0 H2 B:HOH723 3.1 0.0 1.0 H1 A:HOH1218 3.1 0.0 1.0 H2 B:HOH1045 3.1 0.0 1.0 H1 B:HOH200 3.1 0.0 1.0 H1 B:HOH1153 3.2 0.0 1.0 H1 B:HOH1045 3.2 0.0 1.0 H2 A:DA5 3.2 0.0 1.0 H2 B:DA7 3.3 0.0 1.0 H2 A:HOH366 3.3 0.0 1.0 H1' A:DT6 3.5 0.0 1.0 C2 B:DT8 3.5 0.0 1.0 O A:HOH1218 3.6 0.0 1.0 C2 A:DT6 3.6 0.0 1.0 H1' B:DT8 3.6 0.0 1.0 O4' B:DT8 3.7 0.0 1.0 H4' B:DT8 3.9 0.0 1.0 O B:HOH723 3.9 0.0 1.0 H1 B:HOH723 3.9 0.0 1.0 H2 A:HOH1011 4.1 0.0 1.0 C1' B:DT8 4.1 0.0 1.0 C2 B:DA7 4.1 0.0 1.0 O B:HOH1248 4.2 0.0 1.0 C2 A:DA5 4.2 0.0 1.0 H1 A:HOH1185 4.2 0.0 1.0 H1 B:HOH717 4.3 0.0 1.0 O A:HOH1011 4.3 0.0 1.0 H3 A:DT6 4.3 0.0 1.0 N1 B:DT8 4.3 0.0 1.0 O4' B:DG9 4.4 0.0 1.0 C1' A:DT6 4.4 0.0 1.0 C4' B:DT8 4.4 0.0 1.0 H3 B:DT8 4.4 0.0 1.0 N3 A:DT6 4.5 0.0 1.0 N3 B:DT8 4.5 0.0 1.0 N1 A:DT6 4.5 0.0 1.0 O A:HOH99 4.5 0.0 1.0 H1 B:HOH1248 4.6 0.0 1.0 H2 A:HOH99 4.6 0.0 1.0 N3 B:DA7 4.6 0.0 1.0 O B:HOH717 4.6 0.0 1.0 H1 A:HOH99 4.8 0.0 1.0 O A:HOH1185 4.8 0.0 1.0 O A:HOH1142 4.8 0.0 1.0 N1 B:DA7 4.8 0.0 1.0 N1 A:DA5 4.9 0.0 1.0 C4 B:DG9 4.9 0.0 1.0 N9 B:DG9 4.9 0.0 1.0 H2 B:HOH596 4.9 0.0 1.0 N3 A:DA5 4.9 0.0 1.0 O B:HOH596 4.9 0.0 1.0 H2'' A:DT6 4.9 0.0 1.0 H2 B:HOH1248 5.0 0.0 1.0

Sodium binding site 3 out of 9 in the Structure, Dynamics and Hydration of the Nogalamycin- D(Atgcat)2 Complex Determined By uc(Nmr) and Molecular Dynamics Simulations in Solution


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Structure, Dynamics and Hydration of the Nogalamycin- D(Atgcat)2 Complex Determined By uc(Nmr) and Molecular Dynamics Simulations in Solution within 5.0Å range: probe atom residue distance (Å) B Occ B:Na15 b:0.0 occ:1.00 O B:HOH1259 2.3 0.0 1.0 O B:HOH1186 2.4 0.0 1.0 O B:HOH563 2.4 0.0 1.0 O B:HOH1498 2.4 0.0 1.0 O A:HOH263 2.4 0.0 1.0 O A:HOH30 2.5 0.0 1.0 H1 B:HOH563 2.8 0.0 1.0 H1 B:HOH1498 2.8 0.0 1.0 H2 A:HOH30 2.9 0.0 1.0 H2 A:HOH263 2.9 0.0 1.0 H2 B:HOH563 2.9 0.0 1.0 H2 B:HOH1259 3.0 0.0 1.0 H2 B:HOH1186 3.0 0.0 1.0 H1 A:HOH263 3.1 0.0 1.0 H1 B:HOH1186 3.1 0.0 1.0 H1 B:HOH1259 3.1 0.0 1.0 H2 A:HOH1914 3.1 0.0 1.0 H2 B:HOH1498 3.2 0.0 1.0 H2 A:HOH956 3.2 0.0 1.0 H1 A:HOH1914 3.3 0.0 1.0 H1 A:HOH30 3.3 0.0 1.0 H1 A:HOH956 3.3 0.0 1.0 O A:HOH1914 3.7 0.0 1.0 O A:HOH956 3.8 0.0 1.0 O B:HOH1961 3.9 0.0 1.0 O B:HOH1761 4.1 0.0 1.0 H1 B:HOH1455 4.2 0.0 1.0 O A:HOH1524 4.3 0.0 1.0 H2 B:HOH1761 4.3 0.0 1.0 H1 B:HOH1961 4.4 0.0 1.0 O A:HOH291 4.4 0.0 1.0 H2 B:HOH1688 4.4 0.0 1.0 H1 A:HOH1051 4.5 0.0 1.0 O B:HOH1688 4.5 0.0 1.0 O B:HOH1455 4.5 0.0 1.0 H2 A:HOH1524 4.5 0.0 1.0 H1 A:HOH291 4.6 0.0 1.0 O A:HOH1050 4.7 0.0 1.0 H2 A:HOH1051 4.7 0.0 1.0 O A:HOH566 4.7 0.0 1.0 O A:HOH1051 4.7 0.0 1.0 H2 B:HOH1961 4.8 0.0 1.0 H2 B:HOH1455 4.8 0.0 1.0 H1 A:HOH458 4.8 0.0 1.0 H2 A:HOH566 4.8 0.0 1.0 H2 A:HOH1050 4.9 0.0 1.0 O B:HOH883 4.9 0.0 1.0 H1 A:HOH2134 4.9 0.0 1.0 H1 A:HOH1524 4.9 0.0 1.0 H1 B:HOH1761 5.0 0.0 1.0

Sodium binding site 4 out of 9 in the Structure, Dynamics and Hydration of the Nogalamycin- D(Atgcat)2 Complex Determined By uc(Nmr) and Molecular Dynamics Simulations in Solution


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of Structure, Dynamics and Hydration of the Nogalamycin- D(Atgcat)2 Complex Determined By uc(Nmr) and Molecular Dynamics Simulations in Solution within 5.0Å range: probe atom residue distance (Å) B Occ B:Na17 b:0.0 occ:1.00 O A:HOH1242 2.4 0.0 1.0 O A:HOH85 2.4 0.0 1.0 O B:HOH1542 2.4 0.0 1.0 O A:HOH778 2.4 0.0 1.0 O A:HOH1658 2.5 0.0 1.0 O A:HOH1554 2.5 0.0 1.0 H2 A:HOH778 2.9 0.0 1.0 H2 A:HOH1554 2.9 0.0 1.0 H1 A:HOH85 2.9 0.0 1.0 H2 A:HOH1658 3.0 0.0 1.0 H2 A:HOH1504 3.0 0.0 1.0 H1 B:HOH1542 3.0 0.0 1.0 H2 A:HOH1300 3.0 0.0 1.0 H1 A:HOH1242 3.0 0.0 1.0 H2 A:HOH85 3.0 0.0 1.0 H2 A:HOH1242 3.1 0.0 1.0 H1 A:HOH1504 3.1 0.0 1.0 H1 A:HOH1658 3.1 0.0 1.0 H2 A:HOH1693 3.2 0.0 1.0 H1 A:HOH778 3.2 0.0 1.0 H2 B:HOH1542 3.2 0.0 1.0 H1 A:HOH1554 3.3 0.0 1.0 O A:HOH1504 3.5 0.0 1.0 H1 A:HOH1300 3.8 0.0 1.0 O A:HOH1300 3.9 0.0 1.0 O A:HOH1693 4.0 0.0 1.0 H1 A:HOH1693 4.0 0.0 1.0 O A:HOH1409 4.0 0.0 1.0 O A:HOH451 4.1 0.0 1.0 H1 A:HOH1409 4.2 0.0 1.0 H1 A:HOH355 4.3 0.0 1.0 O A:HOH355 4.3 0.0 1.0 H2 B:HOH768 4.4 0.0 1.0 O B:HOH768 4.5 0.0 1.0 H2 A:HOH893 4.5 0.0 1.0 O A:HOH458 4.5 0.0 1.0 O B:HOH1144 4.6 0.0 1.0 H2 A:HOH863 4.6 0.0 1.0 O A:HOH1359 4.6 0.0 1.0 H2 A:HOH269 4.6 0.0 1.0 O A:HOH269 4.7 0.0 1.0 H1 A:HOH1359 4.7 0.0 1.0 O B:HOH570 4.8 0.0 1.0 O A:HOH543 4.8 0.0 1.0 O A:HOH2022 4.8 0.0 1.0 H2 A:HOH451 4.8 0.0 1.0 H2 A:HOH355 4.8 0.0 1.0 H1 A:HOH269 4.8 0.0 1.0 O A:HOH1686 4.9 0.0 1.0 H1 B:HOH768 4.9 0.0 1.0 H1 A:HOH1434 4.9 0.0 1.0 H1 A:HOH1686 4.9 0.0 1.0 H1 A:HOH451 4.9 0.0 1.0 H2 A:HOH543 5.0 0.0 1.0 H2 A:HOH1359 5.0 0.0 1.0 H2 A:HOH1409 5.0 0.0 1.0

Sodium binding site 5 out of 9 in the Structure, Dynamics and Hydration of the Nogalamycin- D(Atgcat)2 Complex Determined By uc(Nmr) and Molecular Dynamics Simulations in Solution


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 5 of Structure, Dynamics and Hydration of the Nogalamycin- D(Atgcat)2 Complex Determined By uc(Nmr) and Molecular Dynamics Simulations in Solution within 5.0Å range: probe atom residue distance (Å) B Occ B:Na18 b:0.0 occ:1.00 O B:HOH2231 2.4 0.0 1.0 O B:HOH622 2.4 0.0 1.0 O B:HOH294 2.4 0.0 1.0 O B:HOH697 2.4 0.0 1.0 H1 B:HOH294 2.7 0.0 1.0 H1 B:HOH622 2.8 0.0 1.0 H1 B:HOH697 2.8 0.0 1.0 H2 B:HOH2231 3.0 0.0 1.0 H2 B:HOH633 3.0 0.0 1.0 H2 B:HOH294 3.1 0.0 1.0 H1 B:HOH2231 3.2 0.0 1.0 H2 B:HOH697 3.3 0.0 1.0 H2 B:HOH622 3.3 0.0 1.0 H2 B:HOH1442 3.4 0.0 1.0 O B:HOH633 3.5 0.0 1.0 H2 B:HOH1499 3.5 0.0 1.0 O B:HOH1499 4.0 0.0 1.0 O B:HOH1442 4.2 0.0 1.0 H1 B:HOH1442 4.2 0.0 1.0 H1 B:HOH633 4.3 0.0 1.0 O B:HOH1415 4.4 0.0 1.0 H2 B:HOH2222 4.7 0.0 1.0 O B:HOH46 4.7 0.0 1.0 H2 B:HOH1415 4.8 0.0 1.0 H1 B:HOH1499 4.8 0.0 1.0 H1 B:HOH110 4.8 0.0 1.0 O B:HOH2222 4.9 0.0 1.0 H1 B:HOH405 4.9 0.0 1.0 H1 B:HOH46 4.9 0.0 1.0 O B:HOH1537 5.0 0.0 1.0 O B:HOH1929 5.0 0.0 1.0

Sodium binding site 6 out of 9 in the Structure, Dynamics and Hydration of the Nogalamycin- D(Atgcat)2 Complex Determined By uc(Nmr) and Molecular Dynamics Simulations in Solution


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 6 of Structure, Dynamics and Hydration of the Nogalamycin- D(Atgcat)2 Complex Determined By uc(Nmr) and Molecular Dynamics Simulations in Solution within 5.0Å range: probe atom residue distance (Å) B Occ B:Na19 b:0.0 occ:1.00 O B:HOH904 2.4 0.0 1.0 O B:HOH715 2.4 0.0 1.0 O B:HOH1093 2.4 0.0 1.0 O B:HOH1381 2.4 0.0 1.0 O B:HOH897 2.4 0.0 1.0 O B:HOH1692 2.5 0.0 1.0 H1 B:HOH715 2.9 0.0 1.0 H2 B:HOH765 2.9 0.0 1.0 H2 B:HOH1381 2.9 0.0 1.0 H1 B:HOH904 2.9 0.0 1.0 H1 B:HOH897 3.0 0.0 1.0 H1 B:HOH1124 3.0 0.0 1.0 H2 B:HOH904 3.0 0.0 1.0 H1 B:HOH1093 3.0 0.0 1.0 H1 B:HOH765 3.1 0.0 1.0 H2 B:HOH1692 3.1 0.0 1.0 H2 B:HOH1093 3.1 0.0 1.0 H1 B:HOH1692 3.1 0.0 1.0 H2 B:HOH897 3.1 0.0 1.0 H2 B:HOH715 3.2 0.0 1.0 H1 B:HOH1381 3.2 0.0 1.0 H1 B:HOH2056 3.4 0.0 1.0 O B:HOH765 3.4 0.0 1.0 O B:HOH1124 3.8 0.0 1.0 H2 B:HOH1124 4.0 0.0 1.0 H2 A:HOH867 4.1 0.0 1.0 O A:HOH867 4.1 0.0 1.0 H1 B:HOH432 4.2 0.0 1.0 O B:HOH2056 4.2 0.0 1.0 O B:HOH432 4.2 0.0 1.0 O B:HOH1500 4.3 0.0 1.0 O B:HOH1049 4.4 0.0 1.0 H2 B:HOH432 4.4 0.0 1.0 H2 B:HOH859 4.4 0.0 1.0 H1 B:HOH642 4.4 0.0 1.0 H1 A:HOH867 4.5 0.0 1.0 H1 B:HOH1500 4.5 0.0 1.0 O B:HOH907 4.5 0.0 1.0 O B:HOH319 4.6 0.0 1.0 O B:HOH1566 4.6 0.0 1.0 H1 B:HOH1049 4.6 0.0 1.0 O B:HOH245 4.7 0.0 1.0 H2 B:HOH319 4.7 0.0 1.0 H2 B:HOH74 4.7 0.0 1.0 O B:HOH74 4.8 0.0 1.0 H2 B:HOH642 4.8 0.0 1.0 H2 B:HOH909 4.8 0.0 1.0 H2 B:HOH2056 4.8 0.0 1.0 O B:HOH1490 4.8 0.0 1.0 H1 B:HOH907 4.8 0.0 1.0 H1 B:HOH1532 4.9 0.0 1.0 H1 B:HOH905 4.9 0.0 1.0 H1 B:HOH1566 4.9 0.0 1.0 H2 B:HOH905 4.9 0.0 1.0 H2 A:HOH2004 5.0 0.0 1.0 H2 B:HOH907 5.0 0.0 1.0 O B:HOH642 5.0 0.0 1.0

Sodium binding site 7 out of 9 in the Structure, Dynamics and Hydration of the Nogalamycin- D(Atgcat)2 Complex Determined By uc(Nmr) and Molecular Dynamics Simulations in Solution


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 7 of Structure, Dynamics and Hydration of the Nogalamycin- D(Atgcat)2 Complex Determined By uc(Nmr) and Molecular Dynamics Simulations in Solution within 5.0Å range: probe atom residue distance (Å) B Occ B:Na20 b:0.0 occ:1.00 O B:HOH548 2.4 0.0 1.0 O A:HOH24 2.4 0.0 1.0 O A:HOH572 2.4 0.0 1.0 O A:HOH2035 2.5 0.0 1.0 O A:HOH1977 2.5 0.0 1.0 O A:HOH1096 2.6 0.0 1.0 H2 A:HOH1096 2.9 0.0 1.0 H1 A:HOH2035 2.9 0.0 1.0 H1 A:HOH572 2.9 0.0 1.0 H2 A:HOH24 3.0 0.0 1.0 H1 B:HOH548 3.0 0.0 1.0 H1 A:HOH1977 3.0 0.0 1.0 H2 A:HOH572 3.1 0.0 1.0 H1 A:HOH24 3.1 0.0 1.0 H1 A:HOH1096 3.1 0.0 1.0 H2 B:HOH548 3.2 0.0 1.0 H2 A:HOH2035 3.2 0.0 1.0 H1 A:HOH1548 3.2 0.0 1.0 H2 A:HOH2005 3.3 0.0 1.0 H1 A:HOH1194 3.3 0.0 1.0 H2 A:HOH1977 3.3 0.0 1.0 H2 A:HOH1597 3.3 0.0 1.0 O A:HOH1194 3.8 0.0 1.0 H2 A:HOH1194 4.0 0.0 1.0 O A:HOH1548 4.0 0.0 1.0 O A:HOH2005 4.0 0.0 1.0 O A:HOH1597 4.0 0.0 1.0 H2 A:HOH1548 4.1 0.0 1.0 O A:HOH1962 4.2 0.0 1.0 O A:HOH1907 4.3 0.0 1.0 H1 B:HOH1867 4.4 0.0 1.0 H2 B:HOH1867 4.4 0.0 1.0 O A:HOH2210 4.5 0.0 1.0 H1 A:HOH1962 4.5 0.0 1.0 O B:HOH2163 4.5 0.0 1.0 H1 A:HOH743 4.5 0.0 1.0 O B:HOH1376 4.6 0.0 1.0 H1 A:HOH2005 4.6 0.0 1.0 H1 A:HOH2199 4.6 0.0 1.0 H2 A:HOH1461 4.6 0.0 1.0 O A:HOH293 4.7 0.0 1.0 H1 A:HOH1597 4.7 0.0 1.0 O A:HOH743 4.7 0.0 1.0 H2 A:HOH2210 4.7 0.0 1.0 O B:HOH1867 4.7 0.0 1.0 H1 B:HOH1376 4.8 0.0 1.0 H2 B:HOH2163 4.8 0.0 1.0 O A:HOH1461 4.8 0.0 1.0 H2 A:HOH1907 4.8 0.0 1.0 H2 A:HOH1962 4.9 0.0 1.0 O B:HOH36 4.9 0.0 1.0 H2 B:HOH1376 4.9 0.0 1.0 H1 A:HOH340 5.0 0.0 1.0 O A:HOH88 5.0 0.0 1.0

Sodium binding site 8 out of 9 in the Structure, Dynamics and Hydration of the Nogalamycin- D(Atgcat)2 Complex Determined By uc(Nmr) and Molecular Dynamics Simulations in Solution


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 8 of Structure, Dynamics and Hydration of the Nogalamycin- D(Atgcat)2 Complex Determined By uc(Nmr) and Molecular Dynamics Simulations in Solution within 5.0Å range: probe atom residue distance (Å) B Occ B:Na22 b:0.0 occ:1.00 O B:HOH482 2.3 0.0 1.0 O A:HOH814 2.4 0.0 1.0 O B:HOH413 2.4 0.0 1.0 H1 B:HOH319 2.4 0.0 1.0 O B:HOH1124 2.5 0.0 1.0 O B:HOH918 2.5 0.0 1.0 O B:HOH319 2.6 0.0 1.0 H2 B:HOH413 2.7 0.0 1.0 H1 B:HOH1124 2.8 0.0 1.0 H2 B:HOH918 2.9 0.0 1.0 H1 B:HOH482 3.0 0.0 1.0 H1 B:HOH1703 3.0 0.0 1.0 H2 A:HOH814 3.0 0.0 1.0 H1 A:HOH814 3.0 0.0 1.0 H2 B:HOH897 3.1 0.0 1.0 H2 B:HOH482 3.1 0.0 1.0 H2 B:HOH1124 3.1 0.0 1.0 H1 B:HOH413 3.1 0.0 1.0 H1 B:HOH642 3.2 0.0 1.0 H1 B:HOH918 3.3 0.0 1.0 H2 B:HOH319 3.4 0.0 1.0 O B:HOH897 3.6 0.0 1.0 O B:HOH1703 3.7 0.0 1.0 O B:HOH648 3.8 0.0 1.0 H2 B:HOH905 4.0 0.0 1.0 O B:HOH642 4.0 0.0 1.0 H1 B:HOH1081 4.1 0.0 1.0 H1 B:HOH897 4.1 0.0 1.0 H2 B:HOH1490 4.1 0.0 1.0 O B:HOH1081 4.2 0.0 1.0 O A:HOH1900 4.3 0.0 1.0 H2 A:HOH1900 4.3 0.0 1.0 H2 B:HOH648 4.3 0.0 1.0 H2 B:HOH1703 4.4 0.0 1.0 H1 B:HOH564 4.4 0.0 1.0 O B:HOH1328 4.5 0.0 1.0 H1 B:HOH648 4.5 0.0 1.0 O B:HOH1490 4.6 0.0 1.0 O B:HOH96 4.7 0.0 1.0 H1 A:HOH708 4.7 0.0 1.0 O A:HOH948 4.7 0.0 1.0 O B:HOH564 4.7 0.0 1.0 H2 B:HOH642 4.7 0.0 1.0 H1 A:HOH1900 4.8 0.0 1.0 H2 A:HOH948 4.8 0.0 1.0 O B:HOH1532 4.9 0.0 1.0 H2 B:HOH1081 4.9 0.0 1.0 O B:HOH905 5.0 0.0 1.0 O A:HOH1398 5.0 0.0 1.0 H1 B:HOH1328 5.0 0.0 1.0 H1 B:HOH1381 5.0 0.0 1.0

Sodium binding site 9 out of 9 in the Structure, Dynamics and Hydration of the Nogalamycin- D(Atgcat)2 Complex Determined By uc(Nmr) and Molecular Dynamics Simulations in Solution


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 9 of Structure, Dynamics and Hydration of the Nogalamycin- D(Atgcat)2 Complex Determined By uc(Nmr) and Molecular Dynamics Simulations in Solution within 5.0Å range: probe atom residue distance (Å) B Occ B:Na23 b:0.0 occ:1.00 O A:HOH643 2.4 0.0 1.0 O A:HOH574 2.4 0.0 1.0 O A:HOH779 2.4 0.0 1.0 O A:HOH794 2.5 0.0 1.0 O A:HOH764 2.5 0.0 1.0 O A:HOH1473 2.6 0.0 1.0 H1 A:HOH764 2.8 0.0 1.0 H1 A:HOH643 2.9 0.0 1.0 H2 A:HOH764 2.9 0.0 1.0 H1 A:HOH779 2.9 0.0 1.0 H2 A:HOH574 3.0 0.0 1.0 H2 A:HOH1473 3.0 0.0 1.0 H1 A:HOH825 3.1 0.0 1.0 H2 A:HOH794 3.1 0.0 1.0 H2 A:HOH779 3.1 0.0 1.0 H2 A:HOH643 3.2 0.0 1.0 H1 A:HOH794 3.2 0.0 1.0 H1 A:HOH282 3.2 0.0 1.0 H1 A:HOH574 3.2 0.0 1.0 H2 A:HOH369 3.2 0.0 1.0 H1 A:HOH1473 3.4 0.0 1.0 O A:HOH825 3.5 0.0 1.0 O A:HOH369 3.9 0.0 1.0 H1 A:HOH1394 4.0 0.0 1.0 O B:HOH1662 4.0 0.0 1.0 H2 A:HOH825 4.0 0.0 1.0 O A:HOH282 4.1 0.0 1.0 H1 A:HOH369 4.1 0.0 1.0 H2 A:HOH1717 4.2 0.0 1.0 O A:HOH1717 4.3 0.0 1.0 O A:HOH107 4.3 0.0 1.0 H1 A:HOH185 4.3 0.0 1.0 H1 A:HOH107 4.3 0.0 1.0 H1 B:HOH1662 4.3 0.0 1.0 H1 B:HOH596 4.4 0.0 1.0 H2 A:HOH668 4.4 0.0 1.0 H1 A:HOH1011 4.4 0.0 1.0 H1 A:HOH668 4.4 0.0 1.0 O A:HOH185 4.5 0.0 1.0 O A:HOH668 4.6 0.0 1.0 H1 B:HOH1843 4.7 0.0 1.0 H2 A:HOH282 4.7 0.0 1.0 O B:HOH1843 4.7 0.0 1.0 O A:HOH900 4.8 0.0 1.0 O A:HOH1458 4.8 0.0 1.0 O A:HOH842 4.8 0.0 1.0 O A:HOH1394 4.9 0.0 1.0 H2 B:HOH1662 4.9 0.0 1.0 H1 A:HOH92 5.0 0.0 1.0 H2 A:HOH92 5.0 0.0 1.0 O A:HOH1011 5.0 0.0 1.0

H.E.Williams, M.S.Searle. Structure, Dynamics and Hydration of the Nogalamycin-D(Atgcat)2COMPLEX Determined By uc(Nmr) and Molecular Dynamics Simulations in Solution. J.Mol.Biol. V. 290 699 1999.
ISSN: ISSN 0022-2836
PubMed: 10395824
DOI: 10.1006/JMBI.1999.2903