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Chlorine in PDB 4gbm: Sulfotransferase Domain From the Curacin Biosynthetic Pathway

Protein crystallography data

The structure of Sulfotransferase Domain From the Curacin Biosynthetic Pathway, PDB code: 4gbm was solved by J.G.Mccarthy, J.L.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.34 / 1.62
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 45.856, 67.299, 118.016, 90.00, 90.00, 90.00
R / Rfree (%) 15.8 / 18.2

Other elements in 4gbm:

The structure of Sulfotransferase Domain From the Curacin Biosynthetic Pathway also contains other interesting chemical elements:

Zinc (Zn) 5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Sulfotransferase Domain From the Curacin Biosynthetic Pathway (pdb code 4gbm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Sulfotransferase Domain From the Curacin Biosynthetic Pathway, PDB code: 4gbm:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 4gbm

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Chlorine binding site 1 out of 9 in the Sulfotransferase Domain From the Curacin Biosynthetic Pathway


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Sulfotransferase Domain From the Curacin Biosynthetic Pathway within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl407

b:12.3
occ:1.00
ZN A:ZN402 2.2 11.0 1.0
NZ A:LYS271 3.3 18.0 1.0
N A:LEU270 3.5 10.3 1.0
CL A:CL411 3.5 11.7 1.0
OD1 A:ASP266 3.6 10.5 1.0
N A:LYS271 3.6 11.1 1.0
NE2 A:HIS258 3.6 13.0 1.0
CA A:ASN268 3.6 9.5 1.0
CG A:LYS271 3.6 14.3 1.0
OD2 A:ASP266 3.7 11.6 1.0
CB A:LEU270 3.7 11.8 1.0
C A:LEU270 3.7 11.4 1.0
CA A:LEU270 3.8 11.0 1.0
C A:ASN268 3.8 9.4 1.0
O A:HOH792 3.9 49.9 1.0
CG A:ASP266 4.0 10.8 1.0
N A:PHE269 4.2 9.3 1.0
O A:ASN268 4.2 9.5 1.0
CE A:LYS271 4.3 16.8 1.0
CD2 A:HIS258 4.3 13.4 1.0
N A:ASN268 4.3 9.3 1.0
CE1 A:HIS258 4.3 14.4 1.0
CD A:LYS271 4.3 16.7 1.0
CB A:LYS271 4.4 12.7 1.0
OD1 A:ASN268 4.4 10.5 1.0
O A:LEU270 4.4 14.2 1.0
CA A:LYS271 4.5 11.5 1.0
C A:PHE269 4.6 9.8 1.0
O A:HOH855 4.6 52.4 1.0
CB A:ASN268 4.7 9.4 1.0
CG A:LEU270 4.7 11.7 1.0

Chlorine binding site 2 out of 9 in 4gbm

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Chlorine binding site 2 out of 9 in the Sulfotransferase Domain From the Curacin Biosynthetic Pathway


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Sulfotransferase Domain From the Curacin Biosynthetic Pathway within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl408

b:13.5
occ:1.00
ZN A:ZN404 2.2 9.0 1.0
O5P A:A3P406 3.3 9.9 1.0
CB A:PRO38 3.5 11.0 1.0
N A:ARG39 3.6 8.0 1.0
CL A:CL410 3.6 14.9 1.0
CA A:PRO38 3.6 9.3 1.0
CD A:ARG39 3.7 9.1 1.0
CD1 A:ILE264 3.7 18.8 1.0
CE A:MET175 3.7 23.8 1.0
CL A:CL409 3.7 11.8 1.0
NH2 A:ARG39 4.0 10.7 1.0
C A:PRO38 4.1 9.3 1.0
CG A:PRO135 4.2 14.9 1.0
CG A:PRO38 4.3 13.0 1.0
CG1 A:ILE264 4.4 18.9 1.0
CG A:ARG39 4.5 9.4 1.0
P2 A:A3P406 4.5 7.3 1.0
SD A:MET175 4.5 21.5 1.0
CA A:ARG39 4.6 7.7 1.0
CB A:PRO135 4.6 13.6 1.0
NE A:ARG39 4.7 8.0 1.0
O4P A:A3P406 4.7 7.1 1.0
CZ A:ARG39 4.8 10.3 1.0
N A:PRO38 4.9 9.1 1.0
CB A:SER265 4.9 11.2 1.0

Chlorine binding site 3 out of 9 in 4gbm

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Chlorine binding site 3 out of 9 in the Sulfotransferase Domain From the Curacin Biosynthetic Pathway


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Sulfotransferase Domain From the Curacin Biosynthetic Pathway within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl409

b:11.8
occ:1.00
ZN A:ZN404 2.2 9.0 1.0
NZ A:LYS133 3.1 9.8 1.0
O A:HOH561 3.2 19.4 1.0
CG A:PRO135 3.4 14.9 1.0
O A:HOH696 3.5 33.1 1.0
O5P A:A3P406 3.5 9.9 1.0
OG A:SER42 3.5 8.2 1.0
OG1 A:THR43 3.6 7.9 1.0
CL A:CL410 3.6 14.9 1.0
CD A:PRO135 3.6 12.1 1.0
OE2 A:GLU60 3.6 12.1 1.0
CL A:CL408 3.7 13.5 1.0
O6P A:A3P406 3.8 6.2 1.0
P2 A:A3P406 3.9 7.3 1.0
O4P A:A3P406 4.0 7.1 1.0
CE A:LYS133 4.5 10.2 1.0
CD A:GLU60 4.6 16.0 1.0
O A:HOH541 4.6 16.1 1.0
CB A:PRO135 4.8 13.6 1.0
CD A:LYS133 4.8 7.3 1.0
CB A:SER42 4.9 7.5 1.0
CB A:THR43 5.0 7.1 1.0
N A:THR43 5.0 6.5 1.0
OE1 A:GLU60 5.0 15.7 1.0

Chlorine binding site 4 out of 9 in 4gbm

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Chlorine binding site 4 out of 9 in the Sulfotransferase Domain From the Curacin Biosynthetic Pathway


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Sulfotransferase Domain From the Curacin Biosynthetic Pathway within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl410

b:14.9
occ:1.00
ZN A:ZN404 2.2 9.0 1.0
NH2 A:ARG39 3.3 10.7 1.0
N A:PRO267 3.4 9.2 1.0
O A:SER265 3.4 12.4 1.0
C A:SER265 3.4 10.6 1.0
O A:HOH541 3.5 16.1 1.0
CD A:PRO267 3.6 11.0 1.0
C A:ASP266 3.6 9.4 1.0
O5P A:A3P406 3.6 9.9 1.0
CL A:CL408 3.6 13.5 1.0
CL A:CL409 3.6 11.8 1.0
CB A:SER265 3.7 11.2 1.0
CA A:PRO267 3.7 9.3 1.0
N A:ASP266 3.8 10.1 1.0
CA A:SER265 3.9 11.9 1.0
CB A:PRO267 3.9 10.0 1.0
N A:SER265 3.9 14.3 1.0
O A:ASP266 4.0 9.3 1.0
O A:HOH561 4.0 19.4 1.0
CA A:ASP266 4.1 10.1 1.0
CG A:PRO267 4.2 13.4 1.0
CZ A:ARG39 4.5 10.3 1.0
OG A:SER265 4.6 13.7 1.0
CG1 A:ILE264 4.6 18.9 1.0
P2 A:A3P406 4.8 7.3 1.0
O6P A:A3P406 4.9 6.2 1.0
O A:HOH696 5.0 33.1 1.0

Chlorine binding site 5 out of 9 in 4gbm

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Chlorine binding site 5 out of 9 in the Sulfotransferase Domain From the Curacin Biosynthetic Pathway


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Sulfotransferase Domain From the Curacin Biosynthetic Pathway within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl411

b:11.7
occ:1.00
ZN A:ZN402 2.2 11.0 1.0
O A:HOH622 3.3 24.8 1.0
OD1 A:ASP266 3.3 10.5 1.0
N A:PHE269 3.4 9.3 1.0
CL A:CL407 3.5 12.3 1.0
N A:LEU270 3.5 10.3 1.0
NE2 A:HIS258 3.6 13.0 1.0
CG A:PRO267 3.7 13.4 1.0
CB A:PHE269 3.7 9.2 1.0
N A:ASN268 3.9 9.3 1.0
CD2 A:HIS258 3.9 13.4 1.0
CA A:PHE269 3.9 9.2 1.0
CD A:PRO267 4.0 11.0 1.0
CG A:LEU270 4.1 11.7 1.0
C A:ASN268 4.1 9.4 1.0
CD1 A:LEU262 4.1 19.6 1.0
CA A:ASN268 4.2 9.5 1.0
C A:PHE269 4.2 9.8 1.0
CB A:LEU270 4.3 11.8 1.0
CA A:LEU270 4.5 11.0 1.0
CD1 A:LEU270 4.5 15.0 1.0
CG A:ASP266 4.5 10.8 1.0
O A:HOH635 4.6 23.9 1.0
N A:PRO267 4.6 9.2 1.0
C A:PRO267 4.6 9.7 1.0
CB A:PRO267 4.7 10.0 1.0
CE1 A:HIS258 4.8 14.4 1.0
CG A:PHE269 4.8 9.4 1.0
CD2 A:PHE269 4.9 10.4 1.0
CA A:PRO267 4.9 9.3 1.0

Chlorine binding site 6 out of 9 in 4gbm

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Chlorine binding site 6 out of 9 in the Sulfotransferase Domain From the Curacin Biosynthetic Pathway


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Sulfotransferase Domain From the Curacin Biosynthetic Pathway within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl412

b:17.2
occ:1.00
ZN A:ZN405 2.2 15.1 1.0
OG1 A:THR136 3.0 17.9 1.0
O A:HOH531 3.1 12.4 1.0
OG A:SER134 3.4 13.9 1.0
CE1 A:TYR137 3.5 9.1 1.0
ND1 A:HIS62 3.6 14.4 1.0
O A:HOH656 3.6 12.4 1.0
CL A:CL415 3.6 20.3 1.0
CG A:PRO65 3.8 15.6 1.0
CB A:SER134 3.9 9.8 1.0
CA A:HIS62 4.0 11.6 1.0
CD1 A:TYR137 4.1 9.2 1.0
O A:HOH599 4.2 23.6 1.0
CD A:PRO65 4.2 14.7 1.0
CZ A:TYR137 4.4 11.0 1.0
CG A:HIS62 4.4 11.8 1.0
CE1 A:HIS62 4.4 11.8 1.0
CB A:THR136 4.4 15.5 1.0
CB A:HIS62 4.5 12.1 1.0
N A:HIS62 4.5 11.0 1.0
OH A:TYR137 4.5 11.0 1.0
C A:HIS62 4.9 11.3 1.0
CG2 A:THR136 5.0 16.5 1.0

Chlorine binding site 7 out of 9 in 4gbm

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Chlorine binding site 7 out of 9 in the Sulfotransferase Domain From the Curacin Biosynthetic Pathway


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Sulfotransferase Domain From the Curacin Biosynthetic Pathway within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl413

b:10.0
occ:1.00
ZN A:ZN403 2.2 10.0 1.0
N A:ASN273 3.4 10.8 1.0
OD1 A:ASN273 3.5 11.8 1.0
OD2 A:ASP276 3.6 14.1 1.0
CB A:HIS272 3.6 9.8 1.0
ND1 A:HIS272 3.6 9.9 1.0
CA A:HIS272 3.7 10.4 1.0
CG2 A:THR274 3.8 15.2 1.0
N A:THR274 4.0 10.7 1.0
CB A:ASP276 4.1 9.6 1.0
C A:HIS272 4.1 10.7 1.0
CG A:ASP276 4.1 13.3 1.0
CG A:HIS272 4.1 9.7 1.0
O A:THR274 4.4 10.3 1.0
CG A:ASN273 4.4 12.1 1.0
CA A:ASN273 4.5 11.1 1.0
C A:ASN273 4.6 10.8 1.0
CA A:THR274 4.8 11.9 1.0
CB A:THR274 4.8 14.5 1.0
CE1 A:HIS272 4.9 12.9 1.0
C A:THR274 4.9 10.4 1.0

Chlorine binding site 8 out of 9 in 4gbm

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Chlorine binding site 8 out of 9 in the Sulfotransferase Domain From the Curacin Biosynthetic Pathway


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Sulfotransferase Domain From the Curacin Biosynthetic Pathway within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl414

b:28.2
occ:1.00
ZN A:ZN401 2.2 12.6 0.5
O A:HOH710 3.4 28.4 1.0
O A:HOH684 3.5 40.1 1.0
O A:HOH776 3.6 48.1 1.0
OE1 A:GLU83 3.6 30.1 1.0
CD1 A:LEU81 3.7 25.9 1.0
OE2 A:GLU83 3.9 27.5 1.0
CB A:VAL257 3.9 20.2 1.0
CG1 A:VAL257 4.0 20.7 1.0
CG2 A:VAL257 4.0 21.5 1.0
CD A:GLU83 4.1 27.9 1.0
CB A:ALA260 4.1 19.4 1.0

Chlorine binding site 9 out of 9 in 4gbm

Go back to Chlorine Binding Sites List in 4gbm
Chlorine binding site 9 out of 9 in the Sulfotransferase Domain From the Curacin Biosynthetic Pathway


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Sulfotransferase Domain From the Curacin Biosynthetic Pathway within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl415

b:20.3
occ:1.00
ZN A:ZN405 2.2 15.1 1.0
CD1 A:LEU76 3.5 23.8 1.0
O A:HOH632 3.5 43.3 1.0
O A:HOH656 3.6 12.4 1.0
CL A:CL412 3.6 17.2 1.0
ND1 A:HIS62 3.7 14.4 1.0
CE2 A:PHE66 3.8 15.4 1.0
CZ A:PHE66 3.9 17.4 1.0
CB A:HIS62 3.9 12.1 1.0
CG A:PRO65 3.9 15.6 1.0
CG A:HIS62 4.2 11.8 1.0
CA A:HIS62 4.5 11.6 1.0
CB A:PRO65 4.5 15.2 1.0
CD A:PRO65 4.7 14.7 1.0
CE1 A:HIS62 4.7 11.8 1.0
O A:HIS62 4.8 13.6 1.0
CG A:LEU76 4.9 23.2 1.0
CD2 A:PHE66 5.0 15.1 1.0
C A:HIS62 5.0 11.3 1.0
CD2 A:LEU78 5.0 23.6 1.0

Reference:

J.G.Mccarthy, E.B.Eisman, S.Kulkarni, L.Gerwick, W.H.Gerwick, P.Wipf, D.H.Sherman, J.L.Smith. Structural Basis of Functional Group Activation By Sulfotransferases in Complex Metabolic Pathways. Acs Chem.Biol. V. 7 1994 2012.
ISSN: ISSN 1554-8929
PubMed: 22991895
DOI: 10.1021/CB300385M
Page generated: Sat Dec 12 10:39:05 2020

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