Atomistry » Chlorine » PDB 4fbx-4fls » 4flg
Atomistry »
  Chlorine »
    PDB 4fbx-4fls »
      4flg »

Chlorine in PDB 4flg: Hiv-1 Protease Mutant I47V Complexed with Reaction Intermediate

Enzymatic activity of Hiv-1 Protease Mutant I47V Complexed with Reaction Intermediate

All present enzymatic activity of Hiv-1 Protease Mutant I47V Complexed with Reaction Intermediate:
3.4.23.16;

Protein crystallography data

The structure of Hiv-1 Protease Mutant I47V Complexed with Reaction Intermediate, PDB code: 4flg was solved by X.Yu, C.H.Shen, I.T.Weber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.31
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 58.080, 86.300, 46.350, 90.00, 90.00, 90.00
R / Rfree (%) 14.4 / 18

Other elements in 4flg:

The structure of Hiv-1 Protease Mutant I47V Complexed with Reaction Intermediate also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Hiv-1 Protease Mutant I47V Complexed with Reaction Intermediate (pdb code 4flg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Hiv-1 Protease Mutant I47V Complexed with Reaction Intermediate, PDB code: 4flg:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4flg

Go back to Chlorine Binding Sites List in 4flg
Chlorine binding site 1 out of 4 in the Hiv-1 Protease Mutant I47V Complexed with Reaction Intermediate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hiv-1 Protease Mutant I47V Complexed with Reaction Intermediate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl103

b:41.7
occ:0.50
 NE B:ARG41 2.9 49.3 1.0
N B:TRP42 3.0 15.0 1.0
CZ B:ARG41 3.1 52.9 1.0
CD B:ARG41 3.2 40.9 1.0
O B:TRP42 3.3 15.3 1.0
CA B:ARG41 3.5 19.4 1.0
NH1 B:ARG41 3.5 58.9 1.0
CB B:ARG41 3.6 26.3 1.0
NH2 B:ARG41 3.7 57.2 1.0
C B:ARG41 3.8 15.9 1.0
CD1 B:TRP42 3.8 19.2 1.0
CG B:ARG41 4.0 31.8 1.0
CA B:TRP42 4.1 12.9 1.0
NE1 B:TRP42 4.1 20.5 1.0
C B:TRP42 4.1 13.1 1.0
O B:HOH751 4.1 29.3 0.5
CG B:TRP42 4.2 14.3 1.0
CE2 B:TRP42 4.5 17.5 1.0
CD2 B:TRP42 4.6 14.8 1.0
O B:GLY40 4.7 19.4 1.0
CB B:TRP42 4.7 13.1 1.0
N B:ARG41 4.7 18.4 1.0
O B:ARG41 5.0 16.9 1.0

Chlorine binding site 2 out of 4 in 4flg

Go back to Chlorine Binding Sites List in 4flg
Chlorine binding site 2 out of 4 in the Hiv-1 Protease Mutant I47V Complexed with Reaction Intermediate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hiv-1 Protease Mutant I47V Complexed with Reaction Intermediate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl104

b:58.3
occ:1.00
 N B:GLY17 3.3 16.4 1.0
N B:GLY16 3.7 14.0 1.0
CG B:LYS14 3.7 21.6 1.0
O B:HOH708 3.8 19.6 1.0
CA B:GLY17 4.0 17.8 1.0
C B:ILE15 4.0 13.3 1.0
N B:ILE15 4.1 12.0 1.0
O B:LYS14 4.1 13.3 1.0
CA B:ILE15 4.1 12.9 1.0
C B:LYS14 4.1 13.0 1.0
CD B:LYS14 4.1 28.4 1.0
C B:GLY16 4.3 16.1 1.0
CA B:GLY16 4.3 15.2 1.0
CB B:LYS14 4.5 16.1 1.0
CE B:LYS14 4.5 32.8 1.0
O B:ILE63 4.7 19.5 1.0
O B:ILE15 4.8 12.6 1.0
CA B:LYS14 4.9 12.8 1.0
C B:GLY17 4.9 17.5 1.0

Chlorine binding site 3 out of 4 in 4flg

Go back to Chlorine Binding Sites List in 4flg
Chlorine binding site 3 out of 4 in the Hiv-1 Protease Mutant I47V Complexed with Reaction Intermediate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Hiv-1 Protease Mutant I47V Complexed with Reaction Intermediate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl105

b:26.9
occ:1.00
 O B:ALA95 2.7 13.1 1.0
O B:HOH706 2.8 14.1 1.0
N A:LEU5 2.8 10.3 1.0
CA A:THR4 3.5 12.3 1.0
CB A:THR4 3.6 13.4 1.0
CB A:LEU5 3.6 9.7 1.0
C A:THR4 3.6 11.6 1.0
CA A:LEU5 3.7 9.4 1.0
CA B:THR91 3.9 8.8 1.0
C B:ALA95 3.9 11.5 1.0
CG2 B:THR91 3.9 8.9 1.0
CG A:LEU5 4.0 9.8 1.0
NE1 A:TRP6 4.0 13.0 1.0
CB B:THR91 4.3 8.7 1.0
CG2 A:THR4 4.3 18.2 1.0
C A:LEU5 4.3 8.8 1.0
CD1 A:TRP6 4.3 12.7 1.0
CG2 B:THR96 4.4 17.1 1.0
N A:TRP6 4.4 9.4 1.0
CD1 A:LEU5 4.4 11.4 1.0
N B:ALA95 4.5 11.8 1.0
CE2 A:TRP6 4.5 11.5 1.0
N B:THR91 4.6 8.3 1.0
O B:THR91 4.7 10.4 1.0
O A:HOH226 4.7 30.0 1.0
O B:HOH747 4.7 39.5 1.0
O B:LEU90 4.7 9.3 1.0
OG1 A:THR4 4.7 15.7 1.0
O A:THR4 4.8 13.0 1.0
CA B:ALA95 4.8 11.1 1.0
N B:THR96 4.8 10.9 1.0
C B:GLY94 4.8 13.0 1.0
C B:THR91 4.8 9.1 1.0
CA B:THR96 4.9 11.7 1.0
N A:THR4 4.9 13.6 1.0
CG A:TRP6 5.0 10.8 1.0
C B:LEU90 5.0 8.3 1.0

Chlorine binding site 4 out of 4 in 4flg

Go back to Chlorine Binding Sites List in 4flg
Chlorine binding site 4 out of 4 in the Hiv-1 Protease Mutant I47V Complexed with Reaction Intermediate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Hiv-1 Protease Mutant I47V Complexed with Reaction Intermediate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl101

b:31.3
occ:0.50
 N A:THR4 2.9 13.6 1.0
OG1 A:THR4 3.2 15.7 1.0
CA A:ILE3 3.4 13.8 1.0
C A:ILE3 3.7 13.3 1.0
O A:GLN2 3.7 26.2 1.0
CA A:THR4 3.9 12.3 1.0
CB A:THR4 4.0 13.4 1.0
CG2 A:ILE3 4.0 20.7 1.0
O A:THR4 4.1 13.0 1.0
CB A:ILE3 4.2 16.0 1.0
O A:HOH209 4.2 16.9 1.0
CG2 A:THR4 4.3 18.2 1.0
N A:ILE3 4.4 15.2 1.0
C A:GLN2 4.4 19.1 1.0
C A:THR4 4.4 11.6 1.0
O A:HOH239 4.5 24.4 1.0
CG1 A:ILE3 4.7 18.5 1.0
O A:HOH208 4.9 18.4 1.0
O A:ILE3 4.9 14.3 1.0

Reference:

C.H.Shen, Y.Tie, X.Yu, Y.F.Wang, A.Y.Kovalevsky, R.W.Harrison, I.T.Weber. Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of Hiv-1 Protease. Biochemistry V. 51 7726 2012.
ISSN: ISSN 0006-2960
PubMed: 22963370
DOI: 10.1021/BI3008092
Page generated: Sun Jul 21 13:49:30 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy