Atomistry » Arsenic » PDB 1glj-1pqu » 1jq6
Atomistry »
  Arsenic »
    PDB 1glj-1pqu »
      1jq6 »

Arsenic in PDB 1jq6: Human Cytomegalovirus Protease Dimer-Interface Mutant, S225Y

Enzymatic activity of Human Cytomegalovirus Protease Dimer-Interface Mutant, S225Y

All present enzymatic activity of Human Cytomegalovirus Protease Dimer-Interface Mutant, S225Y:
3.4.21.97;

Protein crystallography data

The structure of Human Cytomegalovirus Protease Dimer-Interface Mutant, S225Y, PDB code: 1jq6 was solved by R.Batra, R.Khayat, L.Tong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.30 / 2.30
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 42.270, 108.300, 108.500, 90.00, 90.00, 90.00
R / Rfree (%) 22.9 / 28.6

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Human Cytomegalovirus Protease Dimer-Interface Mutant, S225Y (pdb code 1jq6). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 3 binding sites of Arsenic where determined in the Human Cytomegalovirus Protease Dimer-Interface Mutant, S225Y, PDB code: 1jq6:
Jump to Arsenic binding site number: 1; 2; 3;

Arsenic binding site 1 out of 3 in 1jq6

Go back to Arsenic Binding Sites List in 1jq6
Arsenic binding site 1 out of 3 in the Human Cytomegalovirus Protease Dimer-Interface Mutant, S225Y


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Human Cytomegalovirus Protease Dimer-Interface Mutant, S225Y within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As87

b:58.0
occ:1.00
AS A:CAS87 0.0 58.0 1.0
SG A:CAS87 2.3 49.2 1.0
CB A:CAS87 3.3 34.8 1.0
CB A:CAS202 3.9 40.6 1.0
SG A:CAS202 4.0 43.0 1.0
CE2 A:TYR15 4.4 29.6 1.0
CA A:CAS87 4.7 31.9 1.0
CB A:ALA73 4.8 32.8 1.0
OH A:TYR15 4.9 33.7 1.0

Arsenic binding site 2 out of 3 in 1jq6

Go back to Arsenic Binding Sites List in 1jq6
Arsenic binding site 2 out of 3 in the Human Cytomegalovirus Protease Dimer-Interface Mutant, S225Y


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Human Cytomegalovirus Protease Dimer-Interface Mutant, S225Y within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As161

b:58.5
occ:1.00
AS A:CAS161 0.0 58.5 1.0
SG A:CAS161 2.2 52.0 1.0
CB A:CAS161 3.3 43.5 1.0
OD1 A:ASN62 3.7 34.3 1.0
CD2 A:HIS63 3.8 36.8 1.0
CA A:CAS161 3.9 37.9 1.0
NE2 A:HIS63 4.0 37.2 1.0
CB A:SER132 4.3 45.7 1.0
CA A:ASN62 4.3 32.7 1.0
OG A:SER132 4.5 49.1 1.0
CG A:ASN62 4.5 32.5 1.0
CB A:ASN62 4.7 32.1 1.0
C A:CAS161 4.8 38.2 1.0
N A:SER162 4.8 37.9 1.0
O A:HOH274 4.9 52.1 1.0
N A:CAS161 4.9 35.2 1.0
C A:ASN62 4.9 33.8 1.0
O A:VAL163 4.9 52.0 1.0

Arsenic binding site 3 out of 3 in 1jq6

Go back to Arsenic Binding Sites List in 1jq6
Arsenic binding site 3 out of 3 in the Human Cytomegalovirus Protease Dimer-Interface Mutant, S225Y


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Human Cytomegalovirus Protease Dimer-Interface Mutant, S225Y within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As202

b:57.0
occ:1.00
AS A:CAS202 0.0 57.0 1.0
SG A:CAS202 2.2 43.0 1.0
O A:HOH271 2.9 47.0 1.0
CB A:CAS202 3.3 40.6 1.0
CA A:CAS202 3.6 36.4 1.0
CG2 A:THR205 4.0 33.9 1.0
CB A:THR205 4.1 35.8 1.0
CG1 A:VAL207 4.1 55.0 1.0
N A:CAS202 4.2 35.8 1.0
OG1 A:THR205 4.4 31.1 1.0
O A:VAL72 4.8 31.3 1.0
C A:CAS202 4.8 35.0 1.0
CA A:ALA73 4.9 33.0 1.0

Reference:

R.Batra, R.Khayat, L.Tong. Molecular Mechanism For Dimerization to Regulate the Catalytic Activity of Human Cytomegalovirus Protease. Nat.Struct.Biol. V. 8 810 2001.
ISSN: ISSN 1072-8368
PubMed: 11524687
DOI: 10.1038/NSB0901-810
Page generated: Tue Oct 27 16:46:48 2020

Last articles

Xe in 6AYK
Xe in 6QII
Xe in 6ASM
Xe in 5NSW
Xe in 6FY9
Xe in 5O1K
Xe in 5O27
Xe in 5M69
Xe in 5KPU
Xe in 5I63
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy