Structure of PDB 7jj1 Chain A Binding Site BS02

Receptor Information
>7jj1 Chain A (length=440) Species: 414 (Methylococcus capsulatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNTPPVKPGGLPLLGHILEFGKNPHAFLMALRHEFGDVAEFRMFHQRMVL
LTGSQASEAFYRAPDEVLDQGPAYRIMTPIFGRGVVFDARIERKNQQLQM
LMPALRDKPMRTYSEIIVAEVEAMLRDWKDAGTIDLLELTKELTIYTSSH
CLLGAEFRHELNTEFAGIYRDLEMGIQPIAYVFPNLPLPVFKRRDQARVR
LQELVTQIMERRARSSTNVFQMLIDASYDDGSKLTPHEITGMLIATIFAG
HHTSSGTTAWVLIELLRRPEYLRRVRAEIDALFETHGRVTFESLRQMPQL
ENVIKEVLRLHPPLILLMRKVMKDFEVQGMRIEAGKFVCAAPSVTHRIPE
LFPNPELFDPDRYTPERAEDKDLYGWQAFGGGRHKCSGNAFAMFQIKAIV
CVLLRNYEFELAAAPESYRDDYRKMVVEPASPCLIRYRRR
Ligand information
Ligand ID16A
InChIInChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1
InChIKeyRLGQACBPNDBWTB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04C(CCCC[N+](C)(C)C)CCCCCCCCCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCCCCCCC[N+](C)(C)C
FormulaC19 H42 N
NameCETYL-TRIMETHYL-AMMONIUM
ChEMBLCHEMBL1183605
DrugBankDB01718
ZINCZINC000006846023
PDB chain7jj1 Chain A Residue 502 [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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PDB7jj1 Crystal structure of the sterol 14alpha-demethylase-ferredoxin (CYP51-fx) heme domain and architectural comparison to the whole fusion protein
Resolution3.0 Å
Binding residue
(original residue number in PDB)		F86 E178 I181 Q182 A253 A257
Binding residue
(residue number reindexed from 1)		F81 E173 I176 Q177 A245 A249
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.13.70: Transferred entry: 1.14.14.154.
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005506 iron ion binding
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0020037 heme binding

View graph for
Molecular Function
External links
PDB RCSB:7jj1, PDBe:7jj1, PDBj:7jj1
PDBsum7jj1
PubMed
UniProtQ603T8

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