Structure of PDB 8euh Chain A Binding Site BS02

Receptor Information
>8euh Chain A (length=418) Species: 306 (Pseudomonas sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDARATIPEHIARTVILPQGYADDEVIYPAFKWLRDEQPLAMAHIEGYDP
MWIATKHADVMQIGKQPGLFSNAEGSEILYDQNNEAFMRSISGGCPHVID
SLTSMDPPTHTAYRGLTLNWFQPASIRKLEENIRRIAQASVQRLLDFDGE
CDFMTDCALYYPLHVVMTALGVPEDDEPLMLKLTQDFFGVHEQSADEAAR
RFHETIATFYDYFNGFTVDRRSCPKDDVMSLLANSKLDGNYIDDKYINAY
YVAIATAGHDTTSSSSGGAIIGLSRNPEQLALAKSDPALIPRLVDEAVRW
TAPVKSFMRTALADTEVRGQNIKRGDRIMLSYPSANRDEEVFSNPDEFDI
TRFPNRHLGFGWGAHMCLGQHLAKLEMKIFFEELLPKLKSVELSGPPRLV
ATNFVGGPKNVPIRFTKA
Ligand information
Ligand IDXGE
InChIInChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1
InChIKeyWUOACPNHFRMFPN-SECBINFHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC1=CC[C@H](CC1)C(C)(C)O
OpenEye OEToolkits 2.0.7CC1=CCC(CC1)C(C)(C)O
CACTVS 3.385CC1=CC[CH](CC1)C(C)(C)O
ACDLabs 12.01CC1=CCC(CC1)C(O)(C)C
FormulaC10 H18 O
Namealpha-TERPINEOL;
2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol
ChEMBLCHEMBL447597
DrugBank
ZINCZINC000000967595
PDB chain8euh 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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PDB8euh Cooperative Substrate Binding Controls Catalysis in Bacterial Cytochrome P450terp (CYP108A1).
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S101 T103 A263 A267
Binding residue
(residue number reindexed from 1)		S101 T103 A253 A257
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.-.-
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005506 iron ion binding
GO:0008395 steroid hydroxylase activity
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0020037 heme binding
GO:0036199 cholest-4-en-3-one 26-monooxygenase activity
GO:0046872 metal ion binding
Biological Process
GO:0006707 cholesterol catabolic process
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:8euh, PDBe:8euh, PDBj:8euh
PDBsum8euh
PubMed36779970
UniProtP33006|CPXL_PSESP Cytochrome P450-terp (Gene Name=cyp108)

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