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Chlorine in PDB 4em6: The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis

Enzymatic activity of The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis

All present enzymatic activity of The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis:
5.3.1.9;

Protein crystallography data

The structure of The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis, PDB code: 4em6 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 95.07 / 1.90
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 71.590, 72.730, 115.250, 95.42, 91.54, 110.06
R / Rfree (%) 13.1 / 16.9

Other elements in 4em6:

The structure of The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis also contains other interesting chemical elements:

Calcium (Ca) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis (pdb code 4em6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis, PDB code: 4em6:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 4em6

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Chlorine binding site 1 out of 9 in the The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl601

b:17.5
occ:1.00
 O D:HOH1286 2.9 15.5 1.0
C D:ALA244 3.3 9.1 1.0
N D:ASP246 3.4 9.1 1.0
N D:LYS247 3.4 8.9 1.0
CA D:ALA244 3.4 8.8 1.0
CB D:ALA244 3.5 8.6 1.0
CB D:ASP246 3.6 11.1 1.0
O D:ALA244 3.6 8.2 1.0
N D:LEU245 3.7 8.8 1.0
O D:HOH1008 3.7 11.7 1.0
CG D:LYS247 3.8 12.1 1.0
CA D:ASP246 3.9 9.6 1.0
OD2 D:ASP246 4.1 14.4 1.0
C D:ASP246 4.1 9.8 1.0
CB D:LYS247 4.2 8.9 1.0
CD D:LYS247 4.3 13.5 1.0
C D:LEU245 4.3 9.2 1.0
CG D:ASP246 4.3 11.6 1.0
CA D:LYS247 4.4 8.7 1.0
CE D:LYS247 4.5 15.8 1.0
CA D:LEU245 4.6 9.2 1.0
O D:HOH1016 4.8 7.5 1.0
O D:HOH1250 4.8 17.9 1.0
N D:ALA244 4.9 8.4 1.0
O D:HOH1309 5.0 23.7 1.0

Chlorine binding site 2 out of 9 in 4em6

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Chlorine binding site 2 out of 9 in the The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:20.1
occ:1.00
 O A:HOH1008 2.9 28.1 1.0
O A:HOH1224 3.1 23.0 1.0
N A:GLY156 3.1 7.4 1.0
O A:HOH1044 3.1 17.5 1.0
NE2 A:GLN349 3.4 11.0 1.0
O A:HOH973 3.4 10.3 1.0
O A:HOH1110 3.5 18.8 1.0
O C:HOH1109 3.7 18.8 1.0
CA A:GLY156 3.7 8.3 1.0
CA A:GLY267 3.8 6.5 1.0
C A:GLY155 4.1 7.4 1.0
C A:GLY267 4.2 6.4 1.0
CA A:GLY155 4.2 6.3 1.0
N A:ARG268 4.3 6.4 1.0
O A:ILE154 4.5 6.2 1.0
CD A:GLN349 4.5 8.5 1.0
OE1 A:GLU353 4.6 9.4 1.0
N A:GLY267 4.7 6.5 1.0
C A:GLY156 4.7 8.1 1.0
O C:HIS384 4.8 10.4 1.0
N A:SER157 4.8 8.2 1.0
O A:GLY267 4.9 6.1 1.0
OE1 A:GLN349 4.9 12.8 1.0
O A:HOH889 4.9 6.4 1.0
O A:HOH758 4.9 4.9 1.0

Chlorine binding site 3 out of 9 in 4em6

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Chlorine binding site 3 out of 9 in the The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl603

b:25.5
occ:1.00
 O A:HOH943 3.0 9.9 1.0
O A:HOH1055 3.0 13.2 1.0
N A:ALA198 3.2 7.0 1.0
CB A:ALA198 3.4 8.9 1.0
CD A:PRO197 3.6 7.6 1.0
N A:PRO197 3.7 7.4 1.0
CG2 A:THR228 3.9 7.0 1.0
CA A:ALA198 3.9 7.6 1.0
CB A:ASP196 3.9 11.4 1.0
CB A:PRO197 4.1 7.2 1.0
C A:ASP196 4.1 9.0 1.0
C A:PRO197 4.2 6.8 1.0
CA A:PRO197 4.2 6.8 1.0
CG A:PRO197 4.2 7.2 1.0
CA A:ASP196 4.2 10.5 1.0
CD2 A:LEU229 4.5 8.0 1.0
CG A:ASP196 4.8 15.0 1.0
O A:HOH1156 4.8 16.5 1.0
O A:ASP196 4.8 9.3 1.0
O A:HOH906 4.8 2.4 1.0
O A:HOH870 4.9 13.7 1.0

Chlorine binding site 4 out of 9 in 4em6

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Chlorine binding site 4 out of 9 in the The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl601

b:48.7
occ:1.00
 NE B:ARG440 2.8 28.2 1.0
O B:HOH1355 3.1 23.3 1.0
CD B:ARG440 3.4 25.0 1.0
CA B:GLU454 3.4 16.3 1.0
CB B:GLU454 3.4 16.9 1.0
CG B:ARG440 3.7 19.8 1.0
CZ B:ARG440 3.8 31.6 1.0
NH2 B:ARG440 3.9 33.4 1.0
O B:HOH1075 3.9 7.4 1.0
N B:GLU454 3.9 15.8 1.0
CG B:GLU454 4.0 19.7 1.0
CG1 B:VAL453 4.1 14.9 1.0
O B:HOH701 4.2 23.8 1.0
C B:VAL453 4.4 15.5 1.0
CD B:GLU454 4.5 23.3 1.0
OE1 B:GLU454 4.5 24.7 1.0
O B:VAL453 4.6 14.4 1.0
C B:GLU454 4.7 15.3 1.0
CB B:ARG440 4.8 14.3 1.0
CB B:VAL453 4.9 15.2 1.0
NH1 B:ARG440 5.0 33.7 1.0
O B:GLU454 5.0 14.8 1.0

Chlorine binding site 5 out of 9 in 4em6

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Chlorine binding site 5 out of 9 in the The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl603

b:23.6
occ:1.00
 N B:GLY156 3.0 11.6 1.0
O B:HOH1091 3.1 22.9 1.0
O B:HOH1326 3.2 21.4 1.0
O B:HOH967 3.4 10.6 1.0
NE2 B:GLN349 3.5 12.3 1.0
CA B:GLY156 3.6 12.0 1.0
CA B:GLY267 3.8 7.6 1.0
C B:GLY155 4.1 10.5 1.0
C B:GLY267 4.1 7.3 1.0
CA B:GLY155 4.2 10.1 1.0
O B:HOH1222 4.2 17.9 1.0
N B:ARG268 4.4 7.0 1.0
O B:ILE154 4.4 8.7 1.0
CD B:GLN349 4.6 12.7 1.0
C B:GLY156 4.6 12.3 1.0
OE1 B:GLU353 4.7 7.8 1.0
N B:SER157 4.7 12.3 1.0
N B:GLY267 4.7 7.4 1.0
O B:GLY267 4.7 8.3 1.0
O D:HIS384 4.8 11.6 1.0
CD1 B:ILE154 4.9 12.7 0.5
O B:HOH936 4.9 10.4 1.0
OE1 B:GLN349 4.9 18.2 1.0
O B:HOH890 5.0 10.0 1.0

Chlorine binding site 6 out of 9 in 4em6

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Chlorine binding site 6 out of 9 in the The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl602

b:26.2
occ:1.00
 N C:ASP246 3.3 11.2 1.0
C C:ALA244 3.4 9.7 1.0
CB C:ASP246 3.4 12.8 1.0
N C:LYS247 3.4 11.3 1.0
CA C:ALA244 3.6 9.7 1.0
CG C:LYS247 3.6 15.6 1.0
N C:LEU245 3.6 10.8 1.0
CB C:ALA244 3.7 8.8 1.0
CA C:ASP246 3.7 12.1 1.0
O C:ALA244 3.7 9.4 1.0
C C:ASP246 4.1 11.6 1.0
O C:HOH1136 4.2 10.8 1.0
CG C:ASP246 4.3 15.6 1.0
C C:LEU245 4.3 11.4 1.0
CB C:LYS247 4.3 12.4 1.0
CA C:LYS247 4.5 11.4 1.0
OD2 C:ASP246 4.5 16.8 1.0
CA C:LEU245 4.6 10.7 1.0
CD C:LYS247 4.6 22.0 1.0
O C:HOH791 4.8 5.5 1.0
CE C:LYS247 4.8 25.3 1.0

Chlorine binding site 7 out of 9 in 4em6

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Chlorine binding site 7 out of 9 in the The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl606

b:19.0
occ:1.00
 NH2 C:ARG144 2.7 31.3 1.0
O C:HOH805 3.1 3.7 1.0
N B:ALA232 3.2 11.3 1.0
N C:LYS145 3.4 10.1 1.0
CA C:ARG144 3.5 11.8 1.0
N B:GLU231 3.5 11.7 1.0
CB B:ALA232 3.6 12.3 1.0
CB C:ARG144 3.6 12.0 1.0
CG C:ARG144 3.9 15.9 1.0
O C:HOH914 3.9 4.8 1.0
C B:GLY230 3.9 11.7 1.0
C C:ARG144 4.0 11.0 1.0
CB B:GLU231 4.0 11.8 1.0
CZ C:ARG144 4.0 31.4 1.0
CA B:ALA232 4.0 12.3 1.0
O B:HOH975 4.0 6.6 1.0
CA B:GLU231 4.1 11.2 1.0
CA B:GLY230 4.1 12.3 1.0
C B:GLU231 4.1 11.4 1.0
CD C:ARG144 4.2 20.5 1.0
CB C:LYS145 4.4 9.0 1.0
CA C:LYS145 4.4 8.8 1.0
NE C:ARG144 4.5 27.4 1.0
O C:GLY143 4.7 11.3 1.0
O B:GLY230 4.7 11.1 1.0
N C:ARG144 4.7 11.0 1.0
O C:LYS145 4.8 7.5 1.0
CG B:GLU231 5.0 11.3 1.0

Chlorine binding site 8 out of 9 in 4em6

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Chlorine binding site 8 out of 9 in the The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl607

b:21.6
occ:1.00
 O C:HOH1102 2.7 16.8 1.0
N C:GLY156 3.1 7.8 1.0
O C:HOH1093 3.2 17.4 1.0
NE2 C:GLN349 3.4 8.2 1.0
O C:HOH994 3.5 6.6 1.0
O C:HOH1038 3.5 14.4 1.0
CA C:GLY156 3.7 7.8 1.0
CA C:GLY267 3.8 6.5 1.0
O A:HOH999 3.9 18.6 1.0
C C:GLY155 4.1 7.8 1.0
CA C:GLY155 4.2 7.4 1.0
C C:GLY267 4.2 6.2 1.0
N C:ARG268 4.4 5.2 1.0
O C:ILE154 4.5 4.2 1.0
O C:HOH1289 4.5 27.4 1.0
CD C:GLN349 4.6 9.4 1.0
OE1 C:GLU353 4.6 10.1 1.0
C C:GLY156 4.7 7.7 1.0
N C:GLY267 4.7 6.5 1.0
O C:HOH885 4.7 7.3 1.0
O C:HOH1290 4.7 25.7 1.0
N C:SER157 4.8 7.2 1.0
O A:HIS384 4.9 10.5 1.0
OE1 C:GLN349 4.9 11.8 1.0
O C:GLY267 4.9 6.5 1.0
O C:HOH796 4.9 5.6 1.0
O C:HOH993 4.9 10.8 1.0

Chlorine binding site 9 out of 9 in 4em6

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Chlorine binding site 9 out of 9 in the The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl609

b:20.5
occ:1.00
 O C:HOH1150 2.9 14.5 1.0
O C:HOH799 3.0 3.6 1.0
O A:HOH745 3.0 5.2 1.0
CA C:GLY329 3.6 5.5 1.0
C C:GLY329 3.7 5.0 1.0
CA A:GLY329 3.7 6.2 1.0
C A:GLY329 3.8 5.8 1.0
O C:GLY329 4.0 6.0 1.0
O A:HOH737 4.0 5.1 1.0
O A:HOH966 4.0 6.9 1.0
N C:SER330 4.1 5.0 1.0
O C:HOH1009 4.1 16.4 1.0
O A:GLY329 4.1 6.0 1.0
N A:SER330 4.2 6.2 1.0
O A:HOH793 4.2 14.9 1.0
N C:GLY329 4.3 5.5 1.0
N A:GLY329 4.3 5.9 1.0
O C:HOH1287 4.4 26.0 1.0
CB C:SER330 4.4 5.2 1.0
CB A:SER330 4.5 5.4 1.0
O C:HOH864 4.7 8.2 1.0
OG C:SER330 4.7 4.6 1.0
O A:HOH809 4.8 8.5 1.0
OG A:SER330 4.8 4.1 1.0
CA C:SER330 4.8 4.6 1.0
CA A:SER330 4.9 5.2 1.0

Reference:

M.C.Clifton, T.E.Edwards, Seattle Structural Genomics Center For Infectious Disease(Ssgcid). The Structure of Glucose-6-Phosphate Isomerase (Gpi) From Brucella Melitensis To Be Published.
Page generated: Sun Jul 21 13:05:23 2024

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