Atomistry » Chlorine » PDB 2wzd-2x8b » 2x76
Atomistry »
  Chlorine »
    PDB 2wzd-2x8b »
      2x76 »

Chlorine in PDB 2x76: The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode

Protein crystallography data

The structure of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode, PDB code: 2x76 was solved by S.Wakadkar, S.Hermawan, D.Jendrossek, A.C.Papageorgiou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.45
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 49.630, 140.580, 56.750, 90.00, 90.00, 90.00
R / Rfree (%) n/a / 17.8

Other elements in 2x76:

The structure of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode also contains other interesting chemical elements:

Iodine (I) 8 atoms
Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode (pdb code 2x76). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode, PDB code: 2x76:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 2x76

Go back to Chlorine Binding Sites List in 2x76
Chlorine binding site 1 out of 6 in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1349

b:23.3
occ:1.00
N A:GLY205 3.3 22.4 1.0
O A:HOH2329 3.3 31.0 1.0
CB A:TYR204 3.8 19.5 1.0
CA A:GLY205 4.0 25.6 1.0
C A:TYR204 4.4 21.8 1.0
C A:GLY205 4.6 20.6 1.0
CG1 A:VAL206 4.6 15.9 1.0
CA A:TYR204 4.7 19.3 1.0
O A:TYR203 4.8 15.8 1.0
N A:VAL206 4.8 15.0 1.0

Chlorine binding site 2 out of 6 in 2x76

Go back to Chlorine Binding Sites List in 2x76
Chlorine binding site 2 out of 6 in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1351

b:20.8
occ:1.00
O A:HOH2210 2.8 31.1 1.0
O A:HOH2204 3.1 28.5 1.0
O A:HOH2422 3.1 33.4 1.0
N A:MET291 3.5 13.9 1.0
N A:ALA101 3.8 9.6 1.0
CB A:ALA101 3.9 13.7 1.0
CA A:GLY290 3.9 18.3 1.0
O A:GLY99 4.1 19.1 1.0
OE1 A:GLN102 4.1 18.4 1.0
CB A:MET291 4.1 17.6 0.5
CB A:MET291 4.2 18.4 0.5
C A:GLY290 4.3 14.4 1.0
CE1 A:TYR293 4.3 35.7 1.0
CA A:MET291 4.5 16.6 0.5
CA A:MET291 4.5 16.6 0.5
CA A:ALA101 4.5 10.8 1.0
C A:GLY99 4.6 13.9 1.0
CA A:SER100 4.6 10.6 0.5
C A:SER100 4.8 10.5 1.0
CA A:SER100 4.8 10.2 0.5
O A:MET291 4.9 19.4 1.0
N A:SER100 4.9 10.9 1.0

Chlorine binding site 3 out of 6 in 2x76

Go back to Chlorine Binding Sites List in 2x76
Chlorine binding site 3 out of 6 in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1352

b:19.3
occ:1.00
N A:ASN294 3.7 23.1 1.0
CA A:PRO292 3.8 18.1 1.0
N A:ALA295 3.8 23.4 1.0
C A:ASN294 3.9 23.4 1.0
CA A:ASN294 4.0 20.4 1.0
C A:PRO292 4.0 20.5 1.0
CB A:ASN294 4.0 23.5 1.0
CB A:PRO292 4.3 20.0 1.0
N A:TYR293 4.4 21.1 1.0
CB A:ALA295 4.4 22.0 1.0
O A:ASN294 4.4 27.7 1.0
CA A:ALA295 4.4 21.0 1.0
O A:PRO292 4.4 22.4 1.0
O A:MET291 4.7 19.4 1.0
C A:TYR293 4.8 25.4 1.0
CE1 A:TYR285 4.9 28.1 1.0
ND2 A:ASN294 5.0 30.1 1.0
CG A:ASN294 5.0 19.2 1.0
OH A:TYR285 5.0 29.6 1.0

Chlorine binding site 4 out of 6 in 2x76

Go back to Chlorine Binding Sites List in 2x76
Chlorine binding site 4 out of 6 in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1353

b:19.8
occ:1.00
N A:GLY65 3.3 12.6 1.0
N A:GLY67 3.7 24.5 0.5
OD1 A:ASN62 3.7 15.8 1.0
N A:GLY67 3.8 25.9 0.5
CA A:GLY65 3.8 15.9 1.0
N A:TYR66 3.8 19.3 1.0
ND2 A:ASN62 4.0 10.8 1.0
C A:GLY65 4.0 18.6 1.0
O A:VAL63 4.2 10.8 1.0
CA A:GLY67 4.3 24.0 0.5
CG A:ASN62 4.3 11.6 1.0
C A:SER64 4.4 9.6 1.0
CA A:SER64 4.5 10.4 0.5
CA A:SER64 4.5 10.3 0.5
CA A:GLY67 4.6 23.4 0.5
C A:TYR66 4.6 23.9 1.0
CA A:TYR66 4.8 18.4 1.0
O A:GLY65 4.9 23.1 1.0
C A:VAL63 5.0 6.8 1.0

Chlorine binding site 5 out of 6 in 2x76

Go back to Chlorine Binding Sites List in 2x76
Chlorine binding site 5 out of 6 in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1354

b:14.2
occ:1.00
O A:HOH2079 2.8 38.3 1.0
O A:HOH2164 3.4 42.4 1.0
N A:ASP84 3.5 7.3 1.0
O A:HOH2088 3.6 24.9 1.0
CB A:ASN83 3.8 8.6 1.0
OD2 A:ASP84 4.0 13.6 1.0
CB A:ASP84 4.1 6.7 1.0
CA A:ASN83 4.2 6.4 1.0
SG A:CYS36 4.2 11.9 1.0
CG A:ASP84 4.3 8.4 1.0
C A:ASN83 4.4 6.0 1.0
CA A:ASP84 4.5 7.3 1.0
CB A:CYS36 4.5 12.4 1.0
CE A:LYS78 4.6 11.5 1.0
NZ A:LYS78 4.7 11.7 1.0
O A:SER35 4.8 16.9 1.0
CG A:ASN83 4.8 8.1 1.0

Chlorine binding site 6 out of 6 in 2x76

Go back to Chlorine Binding Sites List in 2x76
Chlorine binding site 6 out of 6 in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1355

b:34.8
occ:1.00
O A:TYR204 2.6 28.1 1.0
C A:TYR204 3.6 21.8 1.0
O A:HOH2328 3.7 47.3 1.0
O A:HOH2331 3.8 27.7 1.0
CB A:TRP202 3.9 17.6 1.0
CA A:TYR204 4.0 19.3 1.0
N A:TYR204 4.1 15.9 1.0
O A:HOH2327 4.3 51.4 1.0
CG A:TRP202 4.5 18.2 1.0
CE3 A:TRP202 4.5 19.3 1.0
CD2 A:TRP202 4.6 18.7 1.0
N A:GLY205 4.7 22.4 1.0
CA A:GLY205 4.8 25.6 1.0
C A:TYR203 4.8 15.5 1.0
N A:TYR203 4.9 16.9 1.0
C A:TRP202 4.9 14.5 1.0
CA A:TRP202 5.0 14.7 1.0

Reference:

S.Wakadkar, S.Hermawan, D.Jendrossek, A.C.Papageorgiou. The Structure of PHAZ7 at Atomic (1.2 A) Resolution Reveals Details of the Active Site and Suggests A Substrate-Binding Mode. Acta Crystallogr. Sect. F V. 66 648 2010STRUCT. Biol. Cryst. Commun..
ISSN: ESSN 1744-3091
PubMed: 20516591
DOI: 10.1107/S174430911001434X
Page generated: Fri Jul 11 01:48:03 2025

Last articles

Ni in 4NUK
Ni in 4NFK
Ni in 4NTF
Ni in 4NTB
Ni in 4N0R
Ni in 4N7P
Ni in 4N7O
Ni in 4NC8
Ni in 4NC7
Ni in 4MV2
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy