Structure of PDB 5m0p Chain A Binding Site BS02

Receptor Information
>5m0p Chain A (length=424) Species: 946435 (Jeotgalicoccus sp. ATCC 8456) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHMATLKRDKGLDNTLKVLKQGYLYTTNQRNRLNTSVFQTKALGGKPFVV
VTGKEGAEMFYNNDVVQREGMLPKRIVNTLAGKGAIHTVDGKKHVDRKAL
FMSLMTEGNLNYVRELTRTLWHANTQRMESMDEVNIYRESIVLLTKVGTR
WAGVQAPPEDIERIATDMDIMIDSFRALGGAFKGYKASKEARRRVEDWLE
EQIIETRKGNIHPPEGTALYEFAHWEDYLGNPMDSRTCAIDLMNTFRPLI
AINRFVSFGLHAMNENPITREKIKSEPDYAYKFAQEVRRYYPFVPFLPGK
AKVDIDFQGVTIPAGVGLALDVYGTTHDESLWDDPNEFRPERFETWDGSP
FDLIPQGGGDYWTNHRCAGEWITVIIMEETMKYFAEKITYDVPEQDLEVD
LNSIPGYVKSGFVIKNVREVVDRT
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 A 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)		F173 R245 P246 P296
Binding residue
(residue number reindexed from 1)		F175 R247 P248 P298
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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