Structure of PDB 1fz9 Chain A Binding Site BS04

Receptor Information
>1fz9 Chain A (length=511) Species: 414 (Methylococcus capsulatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NRAPTSVNAQEVHRWLQSFNWDFKNNRTKYATKYKMANETKEQFKLIAKE
YARMEAVKDERQFGSLQDALTRLNAGVRVHPKWNETMKVVSNFLEVGEYN
AIAATGMLWDSAQAAEQKNGYLAQVLDEIRHTHQCAYVNYYFAKNGQDPA
GHNDARRTRTIGPLWKGMKRVFSDGFISGDAVECSLNLQLVGEACFTNPL
IVAVTEWAAANGDEITPTVFLSIETDELRHMANGYQTVVSIANDPASAKY
LNTDLNNAFWTQQKYFTPVLGMLFEYGSKFKVEPWVKTWDRWVYEDWGGI
WIGRLGKYGVESPRSLKDAKQDAYWAHHDLYLLAYALWPTGFFRLALPDQ
EEMEWFEANYPGWYDHYGKIYEEWRARGCEDPSSGFIPLMWFIENNHPIY
IDRVSQVPFCPSLAKGASTLRVHEYNGEMHTFSDQWGERMWLAEPERYEC
QNIFEQYEGRELSEVIAELHGLRSDGKTLIAQPHVRGDKLWTLDDIKRLN
CVFKNPVKAFN
Ligand information
Ligand IDETI
InChIInChI=1S/C2H5I/c1-2-3/h2H2,1H3
InChIKeyHVTICUPFWKNHNG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 11.02ICC
CACTVS 3.352
OpenEye OEToolkits 1.7.0		CCI
FormulaC2 H5 I
NameIODOETHANE
ChEMBL
DrugBank
ZINC
PDB chain1fz9 Chain A Residue 9004 [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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PDB1fz9 Xenon and halogenated alkanes track putative substrate binding cavities in the soluble methane monooxygenase hydroxylase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		L110 L216
Binding residue
(residue number reindexed from 1)		L94 L200
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E114 E144 H147 E209 E243 H246
Catalytic site (residue number reindexed from 1) E98 E128 H131 E193 E227 H230
Enzyme Commision number 1.14.13.25: methane monooxygenase (soluble).
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005515 protein binding
GO:0015049 methane monooxygenase [NAD(P)H] activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0006730 one-carbon metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1fz9, PDBe:1fz9, PDBj:1fz9
PDBsum1fz9
PubMed11297413
UniProtP22869|MEMA_METCA Methane monooxygenase component A alpha chain (Gene Name=mmoX)

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