Atomistry » Chlorine » PDB 5ws6-5x2n » 5wzw
Atomistry »
  Chlorine »
    PDB 5ws6-5x2n »
      5wzw »

Chlorine in PDB 5wzw: Crystal Structure of Human Secreted Phospholipase A2 Group Iie with LY311727

Enzymatic activity of Crystal Structure of Human Secreted Phospholipase A2 Group Iie with LY311727

All present enzymatic activity of Crystal Structure of Human Secreted Phospholipase A2 Group Iie with LY311727:
3.1.1.4;

Protein crystallography data

The structure of Crystal Structure of Human Secreted Phospholipase A2 Group Iie with LY311727, PDB code: 5wzw was solved by S.Hou, J.Xu, T.Xu, J.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 17.38 / 1.95
Space group P 21 2 2
Cell size a, b, c (Å), α, β, γ (°) 48.853, 61.219, 63.325, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 25.5

Other elements in 5wzw:

The structure of Crystal Structure of Human Secreted Phospholipase A2 Group Iie with LY311727 also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Secreted Phospholipase A2 Group Iie with LY311727 (pdb code 5wzw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Human Secreted Phospholipase A2 Group Iie with LY311727, PDB code: 5wzw:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 5wzw

Go back to Chlorine Binding Sites List in 5wzw
Chlorine binding site 1 out of 7 in the Crystal Structure of Human Secreted Phospholipase A2 Group Iie with LY311727


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 Human Secreted Phospholipase A2 Group Iie with LY311727 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:38.0
occ:1.00
 O A:HOH455 2.7 39.4 1.0
OE2 A:GLU54 3.2 22.9 1.0
N A:LYS61 3.2 16.9 1.0
C A:GLU59 3.3 15.0 1.0
N A:PRO60 3.4 14.3 1.0
CB A:LYS61 3.4 21.7 1.0
CA A:GLU59 3.5 15.8 1.0
CD A:PRO60 3.5 14.0 1.0
CG A:LYS61 3.6 23.5 1.0
O A:GLU59 3.8 15.1 1.0
CA A:LYS61 3.9 19.3 1.0
CD A:LYS61 3.9 25.7 1.0
CB A:GLU59 4.0 18.1 1.0
CE A:LYS61 4.0 27.8 1.0
CD A:GLU54 4.1 20.2 1.0
CG A:GLU54 4.1 17.8 1.0
CG A:PRO60 4.2 13.9 1.0
C A:PRO60 4.2 15.4 1.0
CA A:PRO60 4.3 14.3 1.0
O A:HOH304 4.4 40.7 1.0
N A:LEU62 4.5 19.6 1.0
C A:LYS61 4.7 19.1 1.0
CG A:GLU59 4.7 20.6 1.0
N A:GLU59 4.8 13.8 1.0
CB A:PRO60 4.9 14.0 1.0
O A:CYS58 4.9 12.3 1.0

Chlorine binding site 2 out of 7 in 5wzw

Go back to Chlorine Binding Sites List in 5wzw
Chlorine binding site 2 out of 7 in the Crystal Structure of Human Secreted Phospholipase A2 Group Iie with LY311727


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 Human Secreted Phospholipase A2 Group Iie with LY311727 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:24.6
occ:1.00
 O A:HOH413 3.0 17.3 1.0
O A:HOH428 3.1 36.8 1.0
N A:ARG106 3.1 15.1 1.0
O A:HOH412 3.2 30.4 1.0
CZ A:ARG106 3.6 20.5 1.0
CB A:ARG106 3.7 16.4 1.0
CG A:ARG106 3.8 17.2 1.0
CA A:ASN105 3.8 14.2 1.0
NH1 A:ARG106 3.8 21.4 1.0
O A:HOH453 3.8 39.4 1.0
OD1 A:ASN105 3.9 15.1 1.0
NH2 A:ARG106 3.9 21.1 1.0
C A:ASN105 3.9 14.3 1.0
NE A:ARG106 4.0 19.3 1.0
CA A:ARG106 4.0 15.8 1.0
O A:TYR104 4.0 13.7 1.0
O A:HOH313 4.1 16.4 1.0
CG A:ASN105 4.4 15.2 1.0
CD A:ARG106 4.5 18.2 1.0
N A:ASN105 4.7 13.7 1.0
CB A:ASN105 4.7 14.6 1.0
C A:TYR104 4.7 13.4 1.0
O A:HOH436 4.9 32.1 1.0
O A:HOH393 4.9 30.1 1.0

Chlorine binding site 3 out of 7 in 5wzw

Go back to Chlorine Binding Sites List in 5wzw
Chlorine binding site 3 out of 7 in the Crystal Structure of Human Secreted Phospholipase A2 Group Iie with LY311727


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 Human Secreted Phospholipase A2 Group Iie with LY311727 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:19.5
occ:1.00
 O A:HOH435 2.8 14.0 1.0
N A:CYS82 3.3 9.6 1.0
O A:HOH399 3.4 14.1 1.0
SG A:CYS82 3.5 10.6 1.0
N A:THR81 3.6 10.0 1.0
CB A:THR80 3.7 10.7 1.0
CB A:CYS82 3.8 9.9 1.0
CB A:THR81 3.9 9.8 1.0
O A:HOH452 4.0 35.2 1.0
CA A:THR81 4.1 9.9 1.0
OG1 A:THR80 4.1 10.2 1.0
O A:HOH456 4.1 35.3 1.0
CA A:CYS82 4.1 9.8 1.0
C A:THR81 4.1 9.8 1.0
O A:HOH410 4.3 31.4 1.0
C A:THR80 4.3 10.5 1.0
CA A:THR80 4.4 10.6 1.0
OG1 A:THR81 4.5 10.0 1.0
CG2 A:THR80 4.6 10.8 1.0
O A:HOH324 4.7 10.2 1.0

Chlorine binding site 4 out of 7 in 5wzw

Go back to Chlorine Binding Sites List in 5wzw
Chlorine binding site 4 out of 7 in the Crystal Structure of Human Secreted Phospholipase A2 Group Iie with LY311727


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 Human Secreted Phospholipase A2 Group Iie with LY311727 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:32.7
occ:1.00
 NZ A:LYS15 3.0 22.4 1.0
NH1 A:ARG106 3.1 21.4 1.0
O A:HOH412 3.2 30.4 1.0
CG A:ARG106 3.8 17.2 1.0
NE2 A:GLN19 3.8 25.2 1.0
CD A:ARG106 3.9 18.2 1.0
CE A:LYS15 4.0 21.9 1.0
CE1 A:TYR104 4.2 12.5 1.0
CZ A:ARG106 4.2 20.5 1.0
CD A:LYS15 4.3 21.9 1.0
CD1 A:TYR104 4.4 12.4 1.0
NE A:ARG106 4.5 19.3 1.0
O A:HOH436 4.8 32.1 1.0
O A:HOH305 4.8 30.8 1.0
O A:HOH349 4.9 23.2 1.0
CG A:LYS15 5.0 22.1 1.0

Chlorine binding site 5 out of 7 in 5wzw

Go back to Chlorine Binding Sites List in 5wzw
Chlorine binding site 5 out of 7 in the Crystal Structure of Human Secreted Phospholipase A2 Group Iie with LY311727


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 Human Secreted Phospholipase A2 Group Iie with LY311727 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:30.8
occ:1.00
 N A:ILE74 3.1 18.4 1.0
CE A:LYS91 3.5 12.5 1.0
CA A:GLY73 3.5 25.0 1.0
NZ A:LYS91 3.8 12.8 1.0
C A:GLY73 3.8 21.9 1.0
CD1 A:LEU95 3.9 11.4 1.0
O A:HOH384 4.0 34.1 1.0
CA A:ILE74 4.1 16.3 1.0
CB A:ILE74 4.1 15.9 1.0
O A:HOH426 4.2 36.1 1.0
O A:HOH337 4.2 34.0 1.0
O A:ILE74 4.2 14.3 1.0
CD2 A:LEU95 4.3 11.4 1.0
CG1 A:ILE74 4.3 15.9 1.0
O A:HOH389 4.5 31.9 1.0
O A:ARG72 4.5 32.7 1.0
CD A:LYS91 4.6 12.3 1.0
C A:ILE74 4.6 14.8 1.0
CG A:LEU95 4.6 11.3 1.0
N A:GLY73 4.8 28.8 1.0
CD1 A:ILE74 4.8 16.2 1.0
CG A:LYS91 5.0 12.0 1.0

Chlorine binding site 6 out of 7 in 5wzw

Go back to Chlorine Binding Sites List in 5wzw
Chlorine binding site 6 out of 7 in the Crystal Structure of Human Secreted Phospholipase A2 Group Iie with LY311727


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 Human Secreted Phospholipase A2 Group Iie with LY311727 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:17.6
occ:1.00
 O A:HOH450 3.1 15.7 1.0
NH2 A:ARG92 3.1 20.5 1.0
O A:HOH369 3.1 6.6 1.0
O A:HOH376 3.2 14.3 1.0
NH2 A:ARG52 3.3 12.2 1.0
O A:ALA45 3.6 10.2 1.0
CD A:ARG92 3.6 17.1 1.0
CB A:CYS49 3.6 10.5 1.0
SG A:CYS49 3.7 10.3 1.0
CZ A:ARG92 4.1 19.2 1.0
O A:HOH427 4.1 30.8 1.0
C A:ALA45 4.1 10.9 1.0
NE A:ARG92 4.2 17.9 1.0
CB A:ALA45 4.2 10.8 1.0
CZ A:ARG52 4.4 12.3 1.0
CA A:CYS49 4.5 10.3 1.0
CG A:ARG92 4.6 15.8 1.0
NH1 A:ARG52 4.6 12.2 1.0
O A:HOH352 4.6 9.3 1.0
N A:CYS49 4.7 10.5 1.0
N A:HIS46 4.7 11.0 1.0
CA A:ALA45 4.7 10.8 1.0
O A:HOH451 4.8 11.6 1.0
CB A:ARG92 4.8 14.2 1.0
CA A:HIS46 4.9 11.6 1.0
O A:HOH461 5.0 44.5 1.0
O2 A:GOL210 5.0 20.9 1.0

Chlorine binding site 7 out of 7 in 5wzw

Go back to Chlorine Binding Sites List in 5wzw
Chlorine binding site 7 out of 7 in the Crystal Structure of Human Secreted Phospholipase A2 Group Iie with LY311727


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 Human Secreted Phospholipase A2 Group Iie with LY311727 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:39.4
occ:1.00
 CA A:SER68 3.6 15.6 1.0
N A:VAL69 3.6 21.2 1.0
CB A:SER68 3.9 15.0 1.0
CE A:LYS11 4.1 30.0 1.0
C A:SER68 4.1 18.0 1.0
O A:PHE67 4.2 11.9 1.0
O A:VAL69 4.5 29.1 1.0
NZ A:LYS11 4.7 31.9 1.0
N A:SER68 4.7 13.6 1.0
CA A:VAL69 4.7 24.3 1.0
CD A:LYS11 4.9 28.9 1.0
C A:PHE67 4.9 12.1 1.0
CB A:VAL69 4.9 25.3 1.0

Reference:

S.Hou, T.Xu, J.Xu, L.Qu, Y.Xu, L.Chen, J.Liu. Structural Basis For Functional Selectivity and Ligand Recognition Revealed By Crystal Structures of Human Secreted Phospholipase A2 Group Iie Sci Rep V. 7 10815 2017.
ISSN: ESSN 2045-2322
PubMed: 28883454
DOI: 10.1038/S41598-017-11219-8
Page generated: Fri Jul 26 20:44:17 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