Structure of PDB 1xu3 Chain A Binding Site BS03

Receptor Information
>1xu3 Chain A (length=510) Species: 414 (Methylococcus capsulatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RAPTSVNAQEVHRWLQSFNWDFKNNRTKYATKYKMANETKEQFKLIAKEY
ARMEAVKDERQFGSLQDALTRLNAGVRVHPKWNETMKVVSNFLEVGEYNA
IAATGMLWDSAQAAEQKNGYLAQVLDEIRHTHQCAYVNYYFAKNGQDPAG
HNDARRTRTIGPLWKGMKRVFSDGFISGDAVECSLNLQLVGEACFTNPLI
VAVTEWAAANGDEITPTVFLSIETDELRHMANGYQTVVSIANDPASAKYL
NTDLNNAFWTQQKYFTPVLGMLFEYGSKFKVEPWVKTWDRWVYEDWGGIW
IGRLGKYGVESPRSLKDAKQDAYWAHHDLYLLAYALWPTGFFRLALPDQE
EMEWFEANYPGWYDHYGKIYEEWRARGCEDPSSGFIPLMWFIENNHPIYI
DRVSQVPFCPSLAKGASTLRVHEYNGEMHTFSDQWGERMWLAEPERYECQ
NIFEQYEGRELSEVIAELHGLRSDGKTLIAQPHVRGDKLWTLDDIKRLNC
VFKNPVKAFN
Ligand information
Ligand IDBML
InChIInChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKeyGZFGOTFRPZRKDS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Brc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1O)Br
CACTVS 3.341Oc1ccc(Br)cc1
FormulaC6 H5 Br O
Name4-BROMOPHENOL
ChEMBLCHEMBL57284
DrugBank
ZINCZINC000000404316
PDB chain1xu3 Chain A Residue 1292 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xu3 Product Bound Structures of the Soluble Methane Monooxygenase Hydroxylase from Methylococcus capsulatus (Bath): Protein Motion in the Alpha-Subunit
Resolution2.3 Å
Binding residue
(original residue number in PDB)		T102 L289 G293 F359 L361
Binding residue
(residue number reindexed from 1)		T85 L272 G276 F342 L344
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E114 E144 H147 E209 E243 H246
Catalytic site (residue number reindexed from 1) E97 E127 H130 E192 E226 H229
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1xu3, PDBe:1xu3, PDBj:1xu3
PDBsum1xu3
PubMed15839679
UniProtP22869|MEMA_METCA Methane monooxygenase component A alpha chain (Gene Name=mmoX)

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