Structure of PDB 3vkd Chain A Binding Site BS02

Receptor Information
>3vkd Chain A (length=253) Species: 566461 (Streptomyces viridosporus ATCC 14672) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APPLWRPGRVLARLREHQPGPVHIIDPFKVPVTEAVEKAAELTRLGFAAV
LLASTDYESFESHMEPYVAAVKAATPLPVVLHFPPRPGAGFPVVRGADAL
LLPALLGSGDDYFVWKSFLETLAAFPGRIPREEWPELLLTVALTFGEDPR
TGDLLGTVPVSTASTEEIDRYLHVARAFGFHMVYLYSRNEHVPPEVVRHF
RKGLGPDQVLFVSGNVRSGRQVTEYLDSGADYVGFAGALEQPDWRSALAE
IAG
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 chain3vkd Chain A 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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PDB3vkd Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes
Resolution1.66 Å
Binding residue
(original residue number in PDB)		I39 S69 P99 P118 L120 Y199 Y201 S228 G229 N230 F250 A251 G252
Binding residue
(residue number reindexed from 1)		I24 S54 P84 P103 L105 Y184 Y186 S213 G214 N215 F235 A236 G237
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:3vkd, PDBe:3vkd, PDBj:3vkd
PDBsum3vkd
PubMed22431288
UniProtA0A011

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