Chlorine in PDB 2qaa: Crystal Structure of the Second Tetrahedral Intermediates of Sgpb at pH 7.3

All present enzymatic activity of Crystal Structure of the Second Tetrahedral Intermediates of Sgpb at pH 7.3:
3.4.21.81;

The structure of Crystal Structure of the Second Tetrahedral Intermediates of Sgpb at pH 7.3, PDB code: 2qaa was solved by T.W.Lee, M.N.G.James, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.23
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	142.286, 142.286, 142.286, 90.00, 90.00, 90.00
R / Rfree (%)	11.3 / 12.7

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of the Second Tetrahedral Intermediates of Sgpb at pH 7.3 (pdb code 2qaa). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 18 binding sites of Chlorine where determined in the Crystal Structure of the Second Tetrahedral Intermediates of Sgpb at pH 7.3, PDB code: 2qaa:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 18 in the Crystal Structure of the Second Tetrahedral Intermediates of Sgpb at pH 7.3


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 the Second Tetrahedral Intermediates of Sgpb at pH 7.3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl941 b:46.0 occ:1.00 O B:HOH1034 3.3 23.5 1.0 N A:GLY48C 3.3 9.6 1.0 O2 A:EDO923 3.4 13.4 0.5 O A:HOH1082 3.4 30.7 1.0 CA A:GLY48C 4.0 11.4 1.0 O B:HOH1182 4.0 35.8 1.0 O B:HOH1030 4.2 10.4 0.5 C A:SER48B 4.2 8.5 1.0 CA A:SER48B 4.3 9.0 1.0 OG A:SER240 4.3 11.5 0.2 O A:HOH990 4.8 14.0 1.0 O A:ARG48A 4.8 7.6 1.0 C2 A:EDO923 4.9 8.5 0.5 O A:GLY48C 5.0 12.7 1.0 C A:GLY48C 5.0 11.9 1.0

Chlorine binding site 2 out of 18 in the Crystal Structure of the Second Tetrahedral Intermediates of Sgpb at pH 7.3


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 the Second Tetrahedral Intermediates of Sgpb at pH 7.3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl945 b:27.2 occ:0.50 CL A:CL945 0.0 27.2 0.5 CL A:CL945 1.8 44.8 0.5 O A:HOH1203 2.4 31.3 1.0 CH3 A:ACY931 2.8 30.3 1.0 NE A:ARG41 2.9 13.2 1.0 CD A:ARG41 3.7 11.9 1.0 CB A:ARG41 3.8 10.6 1.0 CE2 A:TYR32 3.9 12.4 1.0 CZ A:ARG41 3.9 12.0 1.0 NH2 A:ARG41 4.0 15.9 1.0 C A:ACY931 4.2 25.9 1.0 CG A:ARG41 4.3 11.6 1.0 OH A:TYR32 4.4 16.5 1.0 O A:HOH1223 4.4 48.0 1.0 O A:ACY931 4.5 33.4 1.0 O A:HOH1210 4.5 31.1 1.0 CZ A:TYR32 4.6 12.7 1.0 CD2 A:TYR32 4.8 11.8 1.0

Chlorine binding site 3 out of 18 in the Crystal Structure of the Second Tetrahedral Intermediates of Sgpb at pH 7.3


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 the Second Tetrahedral Intermediates of Sgpb at pH 7.3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl945 b:44.8 occ:0.50 CL A:CL945 0.0 44.8 0.5 CL A:CL945 1.8 27.2 0.5 NH2 A:ARG41 3.5 15.9 1.0 NE A:ARG41 3.5 13.2 1.0 O A:HOH1203 3.7 31.3 1.0 CH3 A:ACY931 3.8 30.3 1.0 CZ A:ARG41 4.0 12.0 1.0 O A:HOH1210 4.4 31.1 1.0 O A:HOH1073 4.6 27.3 1.0 CD A:ARG41 4.7 11.9 1.0 O A:HOH1223 4.8 48.0 1.0 O A:HOH1237 4.8 44.0 1.0 CB A:ARG41 4.8 10.6 1.0

Chlorine binding site 4 out of 18 in the Crystal Structure of the Second Tetrahedral Intermediates of Sgpb at pH 7.3


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 the Second Tetrahedral Intermediates of Sgpb at pH 7.3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl950 b:52.3 occ:0.65 CL A:CL950 0.0 52.3 0.7 CL A:CL950 2.1 28.7 0.3 O A:HOH1213 2.9 20.3 1.0 O A:HOH1214 3.0 46.2 1.0 CE1 A:TYR50 3.8 9.1 1.0 CZ A:TYR50 4.0 8.4 1.0 CD1 A:TYR50 4.1 8.7 1.0 O A:HOH1188 4.2 37.6 1.0 O A:HOH1132 4.2 36.9 1.0 O A:HOH1053 4.3 26.6 1.0 CE2 A:TYR50 4.4 8.2 1.0 OH A:TYR50 4.5 10.1 1.0 CG A:TYR50 4.5 7.4 1.0 CD2 A:TYR50 4.6 7.4 1.0 CD A:LYS115 4.7 10.6 1.0 O A:HOH1007 4.8 22.1 1.0 NZ A:LYS115 4.8 11.5 1.0

Chlorine binding site 5 out of 18 in the Crystal Structure of the Second Tetrahedral Intermediates of Sgpb at pH 7.3


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 the Second Tetrahedral Intermediates of Sgpb at pH 7.3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl950 b:28.7 occ:0.35 CL A:CL950 0.0 28.7 0.3 CL A:CL950 2.1 52.3 0.7 O A:HOH1213 2.5 20.3 1.0 O A:HOH1132 2.6 36.9 1.0 NZ A:LYS115 3.1 11.5 1.0 O A:HOH1053 3.3 26.6 1.0 O A:HOH1214 3.3 46.2 1.0 CD A:LYS115 3.4 10.6 1.0 CE A:LYS115 3.8 11.0 1.0 CG A:LYS115 3.8 10.2 1.0 O A:ILE113 3.9 11.7 1.0 CB A:LYS115 4.1 9.8 1.0 O A:HOH1188 4.2 37.6 1.0 N A:LYS115 4.3 10.1 1.0 O A:THR111 4.5 23.8 1.0 O A:HOH1139 4.6 40.1 1.0 CA A:LYS115 4.9 9.0 1.0 O A:HOH1011 5.0 14.6 1.0

Chlorine binding site 6 out of 18 in the Crystal Structure of the Second Tetrahedral Intermediates of Sgpb at pH 7.3


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 the Second Tetrahedral Intermediates of Sgpb at pH 7.3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl957 b:23.8 occ:0.50 CL A:CL957 0.0 23.8 0.5 CL A:CL957 1.7 37.9 0.5 CH3 A:ACY933 2.2 11.5 0.5 O A:HOH1239 2.3 18.8 0.5 CH3 A:ACY933 2.4 11.2 0.5 O A:HOH1238 2.6 13.6 0.5 OG1 A:THR207 3.0 16.1 1.0 N A:THR207 3.1 10.2 1.0 C A:ACY933 3.7 6.9 0.5 C A:ACY933 3.7 9.3 0.5 CB A:THR207 3.8 13.4 1.0 CA A:GLY202 3.8 12.7 1.0 C A:GLY202 3.9 10.9 1.0 CA A:THR207 4.0 10.7 1.0 CG2 A:THR207 4.0 19.4 1.0 O A:ACY933 4.1 16.1 0.5 O A:SER201 4.3 10.4 1.0 NE A:ARG208 4.4 19.0 1.0 OXT A:ACY933 4.4 18.0 0.5 O A:ACY933 4.4 14.8 0.5 N A:ARG208 4.6 9.3 1.0 C A:THR207 4.7 10.6 1.0 CG A:ARG208 4.7 18.2 1.0 NH2 A:ARG208 4.7 22.6 1.0 OXT A:ACY933 4.7 18.6 0.5 N A:GLY202 4.8 11.3 1.0 CZ A:ARG208 4.9 24.0 1.0 C A:SER201 5.0 9.8 1.0

Chlorine binding site 7 out of 18 in the Crystal Structure of the Second Tetrahedral Intermediates of Sgpb at pH 7.3


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 the Second Tetrahedral Intermediates of Sgpb at pH 7.3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl957 b:37.9 occ:0.50 CL A:CL957 0.0 37.9 0.5 CL A:CL957 1.7 23.8 0.5 O A:HOH1238 2.0 13.6 0.5 O A:HOH1239 2.4 18.8 0.5 CH3 A:ACY933 2.6 11.5 0.5 CH3 A:ACY933 3.0 11.2 0.5 OG1 A:THR207 3.7 16.1 1.0 O A:ACY933 4.0 16.1 0.5 C A:ACY933 4.1 6.9 0.5 C A:ACY933 4.1 9.3 0.5 NH2 A:ARG208 4.6 22.6 1.0 CB A:THR207 4.7 13.4 1.0 N A:THR207 4.7 10.2 1.0 CG2 A:THR207 4.7 19.4 1.0 OXT A:ACY933 4.8 18.6 0.5 NE A:ARG208 4.9 19.0 1.0 CZ A:ARG208 5.0 24.0 1.0

Chlorine binding site 8 out of 18 in the Crystal Structure of the Second Tetrahedral Intermediates of Sgpb at pH 7.3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Second Tetrahedral Intermediates of Sgpb at pH 7.3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl942 b:41.4 occ:0.50 CL B:CL942 0.0 41.4 0.5 CL B:CL942 1.9 40.4 0.5 NH2 B:ARG81 3.0 24.2 1.0 NH1 B:ARG81 3.7 31.9 1.0 CA B:GLY40 3.8 17.6 1.0 CZ B:ARG81 3.8 24.5 1.0 C B:GLY40 3.9 14.0 1.0 N B:ARG41 4.1 11.7 1.0 CD2 B:TYR32 4.2 12.7 1.0 CL B:CL943 4.2 31.9 0.5 O B:HOH1063 4.3 31.0 1.0 N B:GLY40 4.3 20.2 1.0 O B:GLY40 4.5 18.4 1.0 CE2 B:TYR32 4.5 13.7 1.0 CB B:ARG41 4.6 11.7 1.0 O B:THR39 4.8 27.5 1.0 CA B:ARG41 4.9 11.1 1.0 O B:HOH1193 4.9 63.0 1.0 C B:THR39 4.9 22.9 1.0 OG B:SER79 5.0 29.9 0.5

Chlorine binding site 9 out of 18 in the Crystal Structure of the Second Tetrahedral Intermediates of Sgpb at pH 7.3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of the Second Tetrahedral Intermediates of Sgpb at pH 7.3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl942 b:40.4 occ:0.50 CL B:CL942 0.0 40.4 0.5 CL B:CL942 1.9 41.4 0.5 NH1 B:ARG81 3.2 31.9 1.0 OG B:SER79 3.2 29.9 0.5 NH2 B:ARG81 3.7 24.2 1.0 CZ B:ARG81 3.9 24.5 1.0 CE2 B:TYR32 3.9 13.7 1.0 CL B:CL943 3.9 31.9 0.5 CD2 B:TYR32 4.0 12.7 1.0 CB B:SER79 4.2 20.3 0.5 CB B:SER79 4.2 21.2 0.5 CA B:SER79 4.7 20.0 1.0 O B:HOH1050 4.7 33.7 1.0 O B:SER79 4.9 24.1 1.0

Chlorine binding site 10 out of 18 in the Crystal Structure of the Second Tetrahedral Intermediates of Sgpb at pH 7.3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of the Second Tetrahedral Intermediates of Sgpb at pH 7.3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl943 b:31.9 occ:0.50 CL B:CL943 0.0 31.9 0.5 CL B:CL943 1.8 42.4 0.5 O B:HOH1050 2.9 33.7 1.0 NE B:ARG41 2.9 13.2 1.0 CD B:ARG41 3.6 13.2 1.0 CB B:ARG41 3.9 11.7 1.0 CZ B:ARG41 3.9 11.9 1.0 NH2 B:ARG41 3.9 15.7 1.0 CL B:CL942 3.9 40.4 0.5 CL B:CL942 4.2 41.4 0.5 CE2 B:TYR32 4.3 13.7 1.0 CG B:ARG41 4.3 11.9 1.0 O B:HOH1131 4.4 46.5 1.0 O B:HOH1063 4.7 31.0 1.0 OH B:TYR32 4.8 17.1 1.0

T.W.Lee, M.N.James. 1.2A-Resolution Crystal Structures Reveal the Second Tetrahedral Intermediates of Streptogrisin B (Sgpb). Biochim.Biophys.Acta V.1784 319 2008.
ISSN: ISSN 0006-3002
PubMed: 18157955
DOI: 10.1016/J.BBAPAP.2007.11.012