Structure of PDB 3vka Chain B Binding Site BS02

Receptor Information
>3vka Chain B (length=252) Species: 566461 (Streptomyces viridosporus ATCC 14672) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPLWRPGRVLARLREHQPGPVHIIDPFKVPVTEAVEKAAELTRLGFAAVL
LASTDYESFESHMEPYVAAVKAATPLPVVLHFPPRPGAGFPVVRGADALL
LPALLGSGDDYFVWKSFLETLAAFPGRIPREEWPELLLTVALTFGEDPRT
GDLLGTVPVSTASTEEIDRYLHVARAFGFHMVYLYSRNEHVPPEVVRHFR
KGLGPDQVLFVSGNVRSGRQVTEYLDSGADYVGFAGALEQPDWRSALAEI
AG
Ligand information
Ligand IDFPQ
InChIInChI=1S/C18H31O7P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-24-17(18(19)20)13-25-26(21,22)23/h7,9,11,17H,5-6,8,10,12-13H2,1-4H3,(H,19,20)(H2,21,22,23)/b15-9+,16-11-/t17-/m1/s1
InChIKeySLQQIKXGDCLCGX-XLGHFPRDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(O)O)C(=O)O)/C)/C)C
ACDLabs 12.01O=C(O)C(OC/C=C(/C)CC\C=C(/C)CC\C=C(/C)C)COP(=O)(O)O
CACTVS 3.370CC(C)=CCCC(C)=CCCC(C)=CCO[CH](CO[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(=CCCC(=CCCC(=CCOC(COP(=O)(O)O)C(=O)O)C)C)C
CACTVS 3.370CC(C)=CCCC(/C)=C/CCC(\C)=C/CO[C@H](CO[P](O)(O)=O)C(O)=O
FormulaC18 H31 O7 P
Name(2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid
ChEMBL
DrugBank
ZINCZINC000098208897
PDB chain3vka Chain B Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3vka Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes
Resolution1.57 Å
Binding residue
(original residue number in PDB)		I39 A68 S69 H97 P99 P118 Y199 Y201 S228 G229 N230 F250 A251 G252
Binding residue
(residue number reindexed from 1)		I23 A52 S53 H81 P83 P102 Y183 Y185 S212 G213 N214 F234 A235 G236
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
GO:0046872 metal ion binding
Biological Process
GO:0008654 phospholipid biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3vka, PDBe:3vka, PDBj:3vka
PDBsum3vka
PubMed22431288
UniProtA0A011

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