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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: Tue Dec 15 05:36:41 2020

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