Structure of PDB 5m0p Chain B Binding Site BS02

Receptor Information
>5m0p Chain B (length=421) Species: 946435 (Jeotgalicoccus sp. ATCC 8456) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATLKRDKGLDNTLKVLKQGYLYTTNQRNRLNTSVFQTKALGGKPFVVVTG
KEGAEMFYNNDVVQREGMLPKRIVNTLAGKGAIHTVDGKKHVDRKALFMS
LMTEGNLNYVRELTRTLWHANTQRMESMDEVNIYRESIVLLTKVGTRWAG
VQAPPEDIERIATDMDIMIDSFRALGGAFKGYKASKEARRRVEDWLEEQI
IETRKGNIHPPEGTALYEFAHWEDYLGNPMDSRTCAIDLMNTFRPLIAIN
RFVSFGLHAMNENPITREKIKSEPDYAYKFAQEVRRYYPFVPFLPGKAKV
DIDFQGVTIPAGVGLALDVYGTTHDESLWDDPNEFRPERFETWDGSPFDL
IPQGGGDYWTNHRCAGEWITVIIMEETMKYFAEKITYDVPEQDLEVDLNS
IPGYVKSGFVIKNVREVVDRT
Ligand information
Ligand IDDCR
InChIInChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
InChIKeyVKOBVWXKNCXXDE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCCCCCCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCCCC(=O)O
CACTVS 3.341CCCCCCCCCCCCCCCCCCCC(O)=O
FormulaC20 H40 O2
Nameicosanoic acid
ChEMBLCHEMBL1173381
DrugBank
ZINCZINC000006920376
PDB chain5m0p Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5m0p Catalytic Determinants of Alkene Production by the Cytochrome P450 Peroxygenase OleTJE.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		L78 F173 R245 P246 F294
Binding residue
(residue number reindexed from 1)		L77 F172 R244 P245 F293
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0016125 sterol metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5m0p, PDBe:5m0p, PDBj:5m0p
PDBsum5m0p
PubMed28053093
UniProtE9NSU2

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