Atomistry » Sodium » PDB 1t4b-1u8r » 1tw7
Atomistry »
  Sodium »
    PDB 1t4b-1u8r »
      1tw7 »

Sodium in PDB 1tw7: Wide Open 1.3A Structure of A Multi-Drug Resistant Hiv-1 Protease Represents A Novel Drug Target

Enzymatic activity of Wide Open 1.3A Structure of A Multi-Drug Resistant Hiv-1 Protease Represents A Novel Drug Target

All present enzymatic activity of Wide Open 1.3A Structure of A Multi-Drug Resistant Hiv-1 Protease Represents A Novel Drug Target:
3.4.23.16;

Protein crystallography data

The structure of Wide Open 1.3A Structure of A Multi-Drug Resistant Hiv-1 Protease Represents A Novel Drug Target, PDB code: 1tw7 was solved by P.Martin, J.F.Vickrey, G.Proteasa, Y.L.Jimenez, Z.Wawrzak, M.A.Winters, T.C.Merigan, L.C.Kovari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.30
Space group P 41
Cell size a, b, c (Å), α, β, γ (°) 45.043, 45.043, 105.744, 90.00, 90.00, 90.00
R / Rfree (%) 14.2 / 21.1

Sodium Binding Sites:

The binding sites of Sodium atom in the Wide Open 1.3A Structure of A Multi-Drug Resistant Hiv-1 Protease Represents A Novel Drug Target (pdb code 1tw7). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Wide Open 1.3A Structure of A Multi-Drug Resistant Hiv-1 Protease Represents A Novel Drug Target, PDB code: 1tw7:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in 1tw7

Go back to Sodium Binding Sites List in 1tw7
Sodium binding site 1 out of 2 in the Wide Open 1.3A Structure of A Multi-Drug Resistant Hiv-1 Protease Represents A Novel Drug Target


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Wide Open 1.3A Structure of A Multi-Drug Resistant Hiv-1 Protease Represents A Novel Drug Target within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na402

b:14.3
occ:0.64
N A:THR74 3.1 12.4 1.0
ND2 A:ASN88 3.1 13.1 1.0
O A:HOH437 3.2 28.1 1.0
O A:HOH410 3.2 19.2 1.0
O A:HOH439 3.3 24.1 1.0
CA A:GLY73 3.5 15.0 1.0
CB A:ASN88 3.7 12.5 1.0
C A:GLY73 3.8 11.8 1.0
CG A:ASN88 3.9 13.9 1.0
O A:ASN88 4.0 16.8 1.0
OG1 A:THR74 4.0 17.2 1.0
CB A:THR74 4.0 12.1 1.0
CA A:THR74 4.1 11.8 1.0
C A:ASN88 4.3 12.4 1.0
O A:HOH418 4.4 15.6 1.0
CA A:ASN88 4.5 12.0 1.0
CD2 A:LEU89 4.6 18.5 1.0
O A:THR74 4.7 12.4 1.0
O A:ILE72 4.8 15.1 1.0
CG A:GLN92 4.8 12.9 1.0
O A:HOH462 4.8 27.1 1.0
N A:GLY73 4.8 13.1 1.0
C A:THR74 4.9 11.1 1.0
O A:HOH447 5.0 26.0 1.0

Sodium binding site 2 out of 2 in 1tw7

Go back to Sodium Binding Sites List in 1tw7
Sodium binding site 2 out of 2 in the Wide Open 1.3A Structure of A Multi-Drug Resistant Hiv-1 Protease Represents A Novel Drug Target


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Wide Open 1.3A Structure of A Multi-Drug Resistant Hiv-1 Protease Represents A Novel Drug Target within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na401

b:14.8
occ:0.65
ND2 B:ASN88 3.1 12.8 1.0
N B:THR74 3.1 11.9 1.0
O B:HOH428 3.2 23.8 1.0
O B:HOH446 3.2 29.6 1.0
O B:HOH403 3.2 18.9 1.0
CA B:GLY73 3.6 15.1 1.0
CB B:ASN88 3.7 12.4 1.0
C B:GLY73 3.9 12.2 1.0
CG B:ASN88 3.9 13.6 1.0
O B:ASN88 3.9 18.6 1.0
CB B:THR74 4.0 13.0 1.0
OG1 B:THR74 4.0 17.0 1.0
CA B:THR74 4.1 11.9 1.0
C B:ASN88 4.3 12.7 1.0
O B:HOH414 4.4 17.1 1.0
CA B:ASN88 4.5 12.2 1.0
O B:THR74 4.6 12.3 1.0
CD2 B:LEU89 4.7 19.3 1.0
O B:ILE72 4.8 15.0 1.0
O B:HOH463 4.8 24.2 1.0
CG B:GLN92 4.8 13.0 1.0
N B:GLY73 4.9 12.9 1.0
O B:HOH440 4.9 28.9 1.0
C B:THR74 4.9 10.5 1.0

Reference:

P.Martin, J.F.Vickrey, G.Proteasa, Y.L.Jimenez, Z.Wawrzak, M.A.Winters, T.C.Merigan, L.C.Kovari. Wide Open 1.3A Structure of A Multi-Drug Resistant Hiv-1 Protease Represents A Novel Drug Target Structure V. 13 1887 2005.
ISSN: ISSN 0969-2126
PubMed: 16338417
DOI: 10.1016/J.STR.2005.11.005
Page generated: Sun Oct 6 22:41:56 2024

Last articles

Mg in 9EXS
Mg in 9E6L
Mg in 9E6N
Mg in 9EPN
Mg in 9DTR
Mg in 9D89
Mg in 9D4N
Mg in 9CLR
Mg in 9CU1
Mg in 9CU2
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy