Structure of PDB 1xvb Chain A Binding Site BS06

Receptor Information
>1xvb 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 IDBBU
InChIInChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3
InChIKeyMPPPKRYCTPRNTB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCBr
ACDLabs 10.04BrCCCC
FormulaC4 H9 Br
Name1-BROMOBUTANE
ChEMBLCHEMBL160949
DrugBank
ZINCZINC000002041078
PDB chain1xvb Chain A Residue 1209 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xvb Product Bound Structures of the Soluble Methane Monooxygenase Hydroxylase from Methylococcus capsulatus (Bath): Protein Motion in the Alpha-Subunit
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R489 S490 D491
Binding residue
(residue number reindexed from 1)		R472 S473 D474
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

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Molecular Function
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Biological Process
External links
PDB RCSB:1xvb, PDBe:1xvb, PDBj:1xvb
PDBsum1xvb
PubMed15839679
UniProtP22869|MEMA_METCA Methane monooxygenase component A alpha chain (Gene Name=mmoX)

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