Chlorine in PDB 4fm6: Hiv-1 Protease Mutant V32I Complexed with Reaction Intermediate

Enzymatic activity of Hiv-1 Protease Mutant V32I Complexed with Reaction Intermediate

All present enzymatic activity of Hiv-1 Protease Mutant V32I Complexed with Reaction Intermediate:
3.4.23.16;

Protein crystallography data

The structure of Hiv-1 Protease Mutant V32I Complexed with Reaction Intermediate, PDB code: 4fm6 was solved by 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 / 1.40
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 58.060, 86.140, 46.300, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 23

Other elements in 4fm6:

The structure of Hiv-1 Protease Mutant V32I 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 V32I Complexed with Reaction Intermediate (pdb code 4fm6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Hiv-1 Protease Mutant V32I Complexed with Reaction Intermediate, PDB code: 4fm6:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4fm6

Go back to Chlorine Binding Sites List in 4fm6
Chlorine binding site 1 out of 6 in the Hiv-1 Protease Mutant V32I 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 V32I Complexed with Reaction Intermediate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl102

b:17.0
occ:1.00
 N B:THR74 3.2 10.4 1.0
ND2 B:ASN88 3.2 11.7 1.0
CA B:GLY73 3.7 10.2 1.0
OG1 B:THR74 3.8 17.0 1.0
CB B:ASN88 3.8 10.2 1.0
CB B:THR74 3.8 11.2 1.0
C B:GLY73 4.0 8.4 1.0
CG B:ASN88 4.0 9.8 1.0
CA B:THR74 4.1 9.2 1.0
O B:HOH209 4.4 22.1 1.0
O B:ASN88 4.7 11.8 1.0
O B:THR74 4.7 11.3 1.0
CA B:ASN88 4.9 9.6 1.0
C B:THR74 4.9 9.1 1.0

Chlorine binding site 2 out of 6 in 4fm6

Go back to Chlorine Binding Sites List in 4fm6
Chlorine binding site 2 out of 6 in the Hiv-1 Protease Mutant V32I 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 V32I Complexed with Reaction Intermediate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl103

b:48.5
occ:1.00
 O B:HOH258 2.4 42.4 1.0
N B:ARG8 3.2 14.9 1.0
CG B:ARG8 3.5 15.7 1.0
CB B:LYS7 3.7 20.9 1.0
CB B:ARG8 3.7 13.8 1.0
O B:HOH243 3.9 33.3 1.0
CA B:LYS7 4.0 17.5 1.0
CA B:ARG8 4.0 13.3 1.0
CD B:ARG8 4.0 20.2 1.0
C B:LYS7 4.1 14.2 1.0
NE B:ARG8 4.5 22.4 1.0
NH2 A:ARG87 4.6 14.7 1.0
O B:HOH260 4.8 47.7 1.0
CG B:LYS7 4.9 34.3 1.0
O B:ARG8 4.9 15.8 1.0

Chlorine binding site 3 out of 6 in 4fm6

Go back to Chlorine Binding Sites List in 4fm6
Chlorine binding site 3 out of 6 in the Hiv-1 Protease Mutant V32I 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 V32I Complexed with Reaction Intermediate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl101

b:19.4
occ:1.00
 O A:HOH238 3.0 40.3 1.0
NE1 A:TRP6 3.2 12.2 1.0
O B:HOH205 3.3 13.6 1.0
CZ2 A:TRP6 3.8 11.9 1.0
CE2 A:TRP6 3.9 11.5 1.0
CD1 A:TRP6 4.3 11.8 1.0
CG2 A:THR4 4.3 20.1 1.0
CB A:THR4 4.9 12.9 1.0

Chlorine binding site 4 out of 6 in 4fm6

Go back to Chlorine Binding Sites List in 4fm6
Chlorine binding site 4 out of 6 in the Hiv-1 Protease Mutant V32I 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 V32I Complexed with Reaction Intermediate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl102

b:20.4
occ:1.00
 O A:HOH204 2.9 20.6 1.0
ND2 A:ASN88 3.2 12.0 1.0
N A:THR74 3.2 8.9 1.0
CA A:GLY73 3.7 10.7 1.0
OG1 A:THR74 3.8 14.3 1.0
CB A:THR74 3.8 10.7 1.0
CB A:ASN88 3.9 10.4 1.0
C A:GLY73 4.0 7.5 1.0
CG A:ASN88 4.0 10.4 1.0
CA A:THR74 4.1 9.4 1.0
O A:HOH207 4.2 15.8 1.0
NE2 A:GLN92 4.3 13.6 1.0
O A:ASN88 4.4 14.9 1.0
CD2 A:LEU89 4.5 14.4 1.0
O A:THR74 4.7 11.6 1.0
C A:ASN88 4.8 10.4 1.0
CA A:ASN88 4.8 9.6 1.0
O A:HOH248 4.9 34.1 1.0
C A:THR74 4.9 8.7 1.0

Chlorine binding site 5 out of 6 in 4fm6

Go back to Chlorine Binding Sites List in 4fm6
Chlorine binding site 5 out of 6 in the Hiv-1 Protease Mutant V32I Complexed with Reaction Intermediate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Hiv-1 Protease Mutant V32I Complexed with Reaction Intermediate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl103

b:30.4
occ:1.00
 OG1 A:THR4 2.9 17.1 1.0
N A:TRP6 3.2 10.4 1.0
N A:LYS7 3.3 13.4 1.0
O A:THR4 3.4 15.1 1.0
CG A:LYS7 3.5 34.6 1.0
C A:THR4 3.6 12.1 1.0
CD A:LYS7 3.6 45.8 1.0
CB A:TRP6 3.6 10.8 1.0
O A:HOH205 3.8 18.4 1.0
CA A:TRP6 3.8 10.5 1.0
CB A:THR4 3.9 12.9 1.0
N A:LEU5 3.9 10.8 1.0
CD1 A:TRP6 3.9 11.8 1.0
C A:TRP6 4.0 10.8 1.0
C A:LEU5 4.1 8.7 1.0
CG A:TRP6 4.2 11.0 1.0
CA A:THR4 4.2 12.0 1.0
CB A:LYS7 4.3 22.3 1.0
O A:HOH220 4.3 30.1 1.0
CA A:LYS7 4.3 16.3 1.0
CA A:LEU5 4.3 9.5 1.0
O A:LYS7 4.4 12.2 1.0
N A:THR4 4.6 14.3 1.0
O A:HOH240 4.6 27.2 1.0
C A:LYS7 4.8 13.5 1.0

Chlorine binding site 6 out of 6 in 4fm6

Go back to Chlorine Binding Sites List in 4fm6
Chlorine binding site 6 out of 6 in the Hiv-1 Protease Mutant V32I Complexed with Reaction Intermediate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Hiv-1 Protease Mutant V32I Complexed with Reaction Intermediate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl104

b:30.5
occ:1.00
 O A:HOH264 2.7 34.7 1.0
O A:HOH265 3.0 20.6 1.0
NH2 A:ARG41 3.0 12.8 1.0
CZ A:ARG41 4.3 11.7 1.0
O A:HOH221 4.9 21.9 1.0
NH1 A:ARG41 5.0 11.2 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 13:51:39 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy