Structure of PDB 2ovf Chain A Binding Site BS01

Receptor Information
>2ovf Chain A (length=248) Species: 55952 (Streptomyces toyocaensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMCWIASYPKAGGHWLRCMLTSYVTGEPVETWPGIQAGVPHLEGLLRDGE
APSADPDEQVLLATHFTADRPVLRFYRESTAKVVCLIRNPRDAMLSLMRM
KGIPPEDVEACRKIAETFIADEGFSSVRIWAGEGSWPENIRSWTDSVHES
FPNAAVLAVRYEDLRKDPEGELWKVVDFLELGGRDGVADAVANCTLERMR
EMEERSKLLGLETTKSLKFMGDDIEKAYADLLHGETDFAHYARLYGYA
Ligand information
Ligand IDA3P
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
InChIKeyWHTCPDAXWFLDIH-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H]3O
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
FormulaC10 H15 N5 O10 P2
NameADENOSINE-3'-5'-DIPHOSPHATE
ChEMBLCHEMBL574817
DrugBankDB01812
ZINCZINC000004228234
PDB chain2ovf Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ovf Crystal structure of StaL, a glycopeptide antibiotic sulfotransferase from Streptomyces toyocaensis.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		K12 A13 G14 G15 H16 W17 R90 S98 R101 Y163 C196 M201
Binding residue
(residue number reindexed from 1)		K10 A11 G12 G13 H14 W15 R88 S96 R99 Y161 C194 M199
Annotation score5
Enzymatic activity
Enzyme Commision number 2.8.2.36: desulfo-A47934 sulfotransferase.
Gene Ontology
Molecular Function
GO:0008146 sulfotransferase activity
GO:0016740 transferase activity
Biological Process
GO:0017000 antibiotic biosynthetic process
GO:0051923 sulfation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2ovf, PDBe:2ovf, PDBj:2ovf
PDBsum2ovf
PubMed17329243
UniProtQ8KLM3|STAL_STRTO Desulfo-A47934 sulfotransferase (Gene Name=staL)

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