Chlorine in PDB 5v9j: Crystal Structure of Catalytic Domain of Glp with MS0105

All present enzymatic activity of Crystal Structure of Catalytic Domain of Glp with MS0105:
2.1.1.43;

The structure of Crystal Structure of Catalytic Domain of Glp with MS0105, PDB code: 5v9j was solved by A.Dong, H.Zeng, J.Liu, Y.Xiong, N.Babault, J.Jin, W.Tempel, C.Bountra, C.H.Arrowsmith, A.M.Edwards, H.Wu, P.J.Brown, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.74
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	74.848, 95.891, 102.416, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 19.7

The structure of Crystal Structure of Catalytic Domain of Glp with MS0105 also contains other interesting chemical elements:

Zinc

(Zn)

8 atoms

The binding sites of Chlorine atom in the Crystal Structure of Catalytic Domain of Glp with MS0105 (pdb code 5v9j). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Catalytic Domain of Glp with MS0105, PDB code: 5v9j:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Catalytic Domain of Glp with MS0105


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 Catalytic Domain of Glp with MS0105 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1307 b:28.4 occ:1.00 ND2 A:ASN1122 3.1 15.3 1.0 NH2 A:ARG1125 3.2 16.6 1.0 O A:HOH1539 3.5 13.9 1.0 NE A:ARG1125 3.6 15.6 1.0 CA A:VAL1119 3.7 14.0 1.0 O A:ARG1118 3.7 16.9 1.0 CB A:ASN1122 3.8 15.1 1.0 O A:VAL1119 3.8 13.7 1.0 CZ A:ARG1125 3.8 16.0 1.0 O A:HOH1672 3.9 15.6 1.0 CG A:ASN1122 3.9 15.6 1.0 C A:VAL1119 4.2 13.7 1.0 CG1 A:VAL1119 4.3 14.9 1.0 CB A:VAL1119 4.3 14.2 1.0 CG2 A:VAL1119 4.4 14.6 1.0 C A:ARG1118 4.5 15.6 1.0 N A:VAL1119 4.5 14.6 1.0 CD A:ARG1125 4.8 15.3 1.0 O A:HOH1452 4.9 26.3 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Catalytic Domain of Glp with MS0105


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 Catalytic Domain of Glp with MS0105 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1308 b:40.4 occ:1.00 O A:HOH1601 3.0 16.1 1.0 NH1 A:ARG1054 3.2 36.1 1.0 NH2 A:ARG1054 3.4 34.1 1.0 CZ A:ARG1054 3.8 33.4 1.0 O A:HOH1668 3.9 21.2 1.0 CD2 A:HIS1216 4.0 13.7 1.0 O A:HOH1640 4.2 24.2 1.0 NH1 A:ARG1223 4.3 14.0 1.0 CB A:ALA1215 4.3 14.6 1.0 NE2 A:HIS1216 4.6 13.8 1.0 O A:HOH1461 4.8 18.3 1.0 CD A:ARG1223 4.8 13.4 1.0 O A:HOH1561 5.0 18.7 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Catalytic Domain of Glp with MS0105


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 Catalytic Domain of Glp with MS0105 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1307 b:40.4 occ:1.00 O B:HOH1596 3.0 14.4 1.0 NH1 B:ARG1054 3.3 34.1 1.0 NH2 B:ARG1054 3.3 33.5 1.0 CZ B:ARG1054 3.8 32.4 1.0 O B:HOH1673 3.9 25.2 1.0 CD2 B:HIS1216 3.9 16.4 1.0 O B:HOH1647 4.1 25.8 1.0 CB B:ALA1215 4.2 14.5 1.0 NH1 B:ARG1223 4.3 15.8 1.0 NE2 B:HIS1216 4.6 16.8 1.0 O B:HOH1458 4.8 22.6 1.0 O B:HOH1597 4.9 23.2 1.0 CD B:ARG1223 4.9 14.2 1.0 CG B:HIS1216 5.0 16.2 1.0

H.Zeng, A.Dong, J.Liu, Y.Xiong, N.Babault, J.Jin, W.Tempel, C.Bountra, C.H.Arrowsmith, A.M.Edwards, H.Wu, P.J.Brown, Structural Genomics Consortium (Sgc). Crystal Structure of Catalytic Domain of Glp with MS0105 To Be Published.