Chlorine in PDB 6o5x: Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2

Protein crystallography data

The structure of Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2, PDB code: 6o5x was solved by J.Agniswamy, Y.-F.Wang, I.T.Weber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.53 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 53.704, 60.358, 66.476, 90.00, 90.93, 90.00
R / Rfree (%) 17.6 / 21.2

Other elements in 6o5x:

The structure of Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2 also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2 (pdb code 6o5x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2, PDB code: 6o5x:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 6o5x

Go back to Chlorine Binding Sites List in 6o5x
Chlorine binding site 1 out of 12 in the Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl101

b:29.3
occ:1.00
O B:HOH239 3.1 28.8 1.0
N A:ARG8 3.2 14.9 1.0
CA A:GLN7 3.7 16.6 1.0
CB A:GLN7 3.8 23.5 1.0
CD D:PRO44 3.8 21.6 1.0
CG D:PRO44 3.9 20.4 1.0
CG A:ARG8 3.9 19.0 1.0
C A:GLN7 4.0 15.9 1.0
O A:HOH210 4.0 25.8 1.0
CB A:ARG8 4.1 17.4 1.0
CA A:ARG8 4.2 15.5 1.0
CD A:ARG8 4.2 19.0 1.0
CG A:GLN7 4.3 32.2 1.0
OE1 A:GLN7 4.6 52.4 1.0
NE A:ARG8 4.7 18.4 1.0
NH2 B:ARG87 4.7 17.4 1.0
CD A:GLN7 4.9 37.8 1.0

Chlorine binding site 2 out of 12 in 6o5x

Go back to Chlorine Binding Sites List in 6o5x
Chlorine binding site 2 out of 12 in the Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl102

b:24.4
occ:0.60
N A:ARG41 3.1 21.8 1.0
CA A:GLY40 3.6 19.5 1.0
CG A:ARG41 3.7 27.6 1.0
C A:GLY40 3.9 20.8 1.0
CB A:ARG41 4.0 24.0 1.0
CD A:ARG41 4.0 29.6 1.0
CA A:ARG41 4.1 22.8 1.0
O A:HOH231 4.6 37.1 1.0
O A:HOH204 4.7 23.1 1.0
N A:GLY40 4.9 19.4 1.0

Chlorine binding site 3 out of 12 in 6o5x

Go back to Chlorine Binding Sites List in 6o5x
Chlorine binding site 3 out of 12 in the Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl103

b:29.2
occ:0.90
N A:VAL48 3.2 15.8 1.0
CA B:0Q4101 3.5 18.6 1.0
N B:0Q4101 3.5 20.3 1.0
O B:HOH235 3.6 34.4 1.0
CA A:ILE47 3.7 17.3 1.0
CB B:0Q4101 3.8 21.4 1.0
CB A:VAL48 3.9 15.6 1.0
CB A:ILE47 3.9 19.6 1.0
C A:ILE47 4.0 15.2 1.0
CA A:VAL48 4.1 14.9 1.0
CG2 A:VAL48 4.2 17.7 1.0
O A:VAL48 4.4 16.8 1.0
CG2 A:ILE47 4.5 19.4 1.0
O A:LEU46 4.5 22.1 1.0
C A:VAL48 4.8 16.5 1.0
C B:0Q4101 4.9 20.3 1.0
OD2 A:ASP30 4.9 37.0 1.0
N A:ILE47 5.0 16.1 1.0

Chlorine binding site 4 out of 12 in 6o5x

Go back to Chlorine Binding Sites List in 6o5x
Chlorine binding site 4 out of 12 in the Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl104

b:26.5
occ:1.00
N A:THR12 3.2 17.0 1.0
CB A:ALA67 3.6 27.0 1.0
CB A:VAL11 3.7 17.6 1.0
CA A:VAL11 3.7 15.8 1.0
CA A:ALA67 3.8 23.7 1.0
OG1 A:THR12 3.9 28.4 1.0
CB A:THR12 3.9 25.1 1.0
C A:VAL11 4.0 16.2 1.0
CG1 A:VAL11 4.1 21.5 1.0
CA A:THR12 4.2 20.4 1.0
O A:THR12 4.6 22.8 1.0
N A:ALA67 4.7 21.1 1.0
C A:THR12 4.9 17.9 1.0
C A:ALA67 4.9 25.9 1.0

Chlorine binding site 5 out of 12 in 6o5x

Go back to Chlorine Binding Sites List in 6o5x
Chlorine binding site 5 out of 12 in the Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl102

b:23.4
occ:1.00
N B:THR74 3.2 12.1 1.0
O B:HOH249 3.3 27.7 1.0
ND2 B:ASN88 3.3 14.3 1.0
CA B:GLY73 3.6 12.1 1.0
CB B:ASN88 3.9 13.3 1.0
CB B:THR74 3.9 12.8 1.0
C B:GLY73 3.9 10.5 1.0
OG1 B:THR74 4.0 14.7 1.0
CG B:ASN88 4.1 13.2 1.0
CA B:THR74 4.1 10.9 1.0
OE1 B:GLN92 4.3 30.5 1.0
O B:ASN88 4.3 18.1 1.0
O B:THR74 4.5 11.8 1.0
O B:HOH225 4.6 14.8 1.0
CD2 B:LEU89 4.6 16.4 1.0
C B:ASN88 4.7 15.6 1.0
CA B:ASN88 4.8 13.3 1.0
C B:THR74 4.8 12.1 1.0
N B:GLY73 5.0 10.5 1.0

Chlorine binding site 6 out of 12 in 6o5x

Go back to Chlorine Binding Sites List in 6o5x
Chlorine binding site 6 out of 12 in the Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl103

b:26.5
occ:1.00
N B:LYS55 3.2 14.5 1.0
CG2 B:VAL54 3.6 18.5 0.5
CA B:VAL54 3.7 14.5 0.5
CB B:LYS55 3.9 15.7 1.0
CA B:VAL54 4.0 12.4 0.5
C B:VAL54 4.0 13.5 0.5
CB B:VAL54 4.1 15.8 0.5
C B:VAL54 4.1 12.5 0.5
CG B:LYS55 4.1 18.0 1.0
CA B:LYS55 4.1 13.9 1.0
O B:LYS55 4.5 13.8 1.0
CG1 B:VAL54 4.5 11.1 0.5
O B:PHE53 4.7 15.0 1.0
CD B:LYS55 4.7 24.8 1.0
C B:LYS55 4.8 13.4 1.0
CB B:VAL54 4.9 12.9 0.5
CG B:PRO79 4.9 18.0 1.0
N B:VAL54 5.0 13.2 0.5

Chlorine binding site 7 out of 12 in 6o5x

Go back to Chlorine Binding Sites List in 6o5x
Chlorine binding site 7 out of 12 in the Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl101

b:22.1
occ:1.00
OG1 C:THR4 3.0 14.4 1.0
N C:TRP6 3.3 11.3 1.0
N C:GLN7 3.4 13.2 1.0
C C:THR4 3.7 13.1 1.0
O C:THR4 3.7 13.5 1.0
CB C:TRP6 3.7 15.3 1.0
CA C:TRP6 3.7 13.4 1.0
N C:LEU5 3.9 11.9 1.0
CB C:THR4 3.9 14.4 1.0
C C:TRP6 3.9 12.9 1.0
CE3 C:TRP6 4.1 16.6 1.0
C C:LEU5 4.2 10.6 1.0
O C:HOH204 4.2 18.7 1.0
CB C:GLN7 4.2 19.3 1.0
CG C:GLN7 4.2 30.4 1.0
OE1 C:GLN7 4.2 47.0 1.0
CA C:THR4 4.3 12.5 1.0
CA C:LEU5 4.4 11.2 1.0
CA C:GLN7 4.4 13.3 1.0
O C:HOH238 4.4 17.4 1.0
O C:HOH203 4.5 12.7 1.0
O C:GLN7 4.6 12.8 1.0
CG C:TRP6 4.7 15.1 1.0
CD C:GLN7 4.7 39.6 1.0
CD2 C:TRP6 4.8 15.3 1.0
N C:THR4 4.8 12.3 1.0
C C:GLN7 5.0 13.4 1.0

Chlorine binding site 8 out of 12 in 6o5x

Go back to Chlorine Binding Sites List in 6o5x
Chlorine binding site 8 out of 12 in the Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl102

b:30.6
occ:1.00
NH1 C:ARG8 3.1 19.7 1.0
NH2 C:ARG8 3.5 16.9 1.0
CD1 B:LEU46 3.6 20.4 1.0
CZ C:ARG8 3.7 18.4 1.0
CG B:LEU46 4.0 18.7 1.0
CB B:PRO44 4.1 16.6 1.0
CD2 B:LEU46 4.4 21.8 1.0
CD B:LYS55 4.4 24.8 1.0
CG B:LYS55 4.5 18.0 1.0
CZ1 D:0Q4101 4.5 18.8 1.0
O B:LYS45 4.6 12.7 1.0
C B:PRO44 4.6 13.5 1.0
O B:HOH246 4.7 33.0 1.0
CB5 D:0Q4101 4.7 17.8 1.0
C B:LYS45 4.7 12.1 1.0
CE B:LYS55 4.8 29.1 1.0
N B:LYS45 4.8 12.6 1.0
CG B:PRO44 4.9 16.7 1.0
O C:HOH237 4.9 34.0 1.0
CA B:PRO44 5.0 14.2 1.0
NE C:ARG8 5.0 14.6 1.0

Chlorine binding site 9 out of 12 in 6o5x

Go back to Chlorine Binding Sites List in 6o5x
Chlorine binding site 9 out of 12 in the Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl103

b:22.4
occ:1.00
O C:HOH227 3.2 30.9 1.0
N C:VAL48 3.3 14.8 1.0
N D:0Q4101 3.4 21.5 1.0
CA C:ILE47 3.6 14.8 1.0
CG2 C:VAL48 3.6 23.5 1.0
CA D:0Q4101 3.7 22.1 1.0
CB C:ILE47 3.8 15.8 1.0
C C:ILE47 3.9 13.9 1.0
CG2 C:ILE47 4.2 17.4 1.0
CB D:0Q4101 4.3 24.7 0.5
CA C:VAL48 4.4 15.5 1.0
O C:VAL48 4.4 16.9 1.0
CB D:0Q4101 4.4 24.2 0.5
CB C:VAL48 4.4 22.1 1.0
O C:LEU46 4.7 17.8 1.0
CG1 C:VAL48 4.7 24.4 1.0
C C:VAL48 4.9 17.8 1.0
N C:ILE47 4.9 13.2 1.0
C D:0Q4101 4.9 21.2 1.0

Chlorine binding site 10 out of 12 in 6o5x

Go back to Chlorine Binding Sites List in 6o5x
Chlorine binding site 10 out of 12 in the Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl104

b:25.6
occ:0.80
O D:HOH232 3.0 27.8 1.0
N C:ARG8 3.2 13.0 1.0
CD B:PRO44 3.7 15.5 1.0
CA C:GLN7 3.8 13.3 1.0
CG C:ARG8 3.9 12.9 1.0
CB C:GLN7 3.9 19.3 1.0
C C:GLN7 4.0 13.4 1.0
O C:HOH210 4.1 25.6 1.0
CB C:ARG8 4.1 11.6 1.0
CG B:PRO44 4.2 16.7 1.0
CA C:ARG8 4.2 13.2 1.0
CG C:GLN7 4.4 30.4 1.0
CD C:ARG8 4.5 14.6 1.0
NH2 D:ARG87 4.7 14.7 1.0
O B:HOH214 4.8 23.4 1.0
NE C:ARG8 4.9 14.6 1.0

Reference:

J.Agniswamy, D.W.Kneller, R.Brothers, Y.F.Wang, R.W.Harrison, I.T.Weber. Highly Drug-Resistant Hiv-1 Protease Mutant PRS17 Shows Enhanced Binding to Substrate Analogues. Acs Omega V. 4 8707 2019.
ISSN: ESSN 2470-1343
PubMed: 31172041
DOI: 10.1021/ACSOMEGA.9B00683
Page generated: Sat Dec 12 13:26:11 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy