Structure of PDB 1xvf Chain A Binding Site BS05

Receptor Information
>1xvf 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 ID3CL
InChIInChI=1S/C3H7ClO/c4-2-1-3-5/h5H,1-3H2
InChIKeyLAMUXTNQCICZQX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CO)CCl
ACDLabs 10.04ClCCCO
CACTVS 3.341OCCCCl
FormulaC3 H7 Cl O
Name3-CHLOROPROPANOL
ChEMBLCHEMBL1230102
DrugBank
ZINCZINC000001690062
PDB chain1xvf Chain A Residue 1302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xvf Product Bound Structures of the Soluble Methane Monooxygenase Hydroxylase from Methylococcus capsulatus (Bath): Protein Motion in the Alpha-Subunit
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E114 E144 F188 L204 E209 T213
Binding residue
(residue number reindexed from 1)		E97 E127 F171 L187 E192 T196
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:1xvf, PDBe:1xvf, PDBj:1xvf
PDBsum1xvf
PubMed15839679
UniProtP22869|MEMA_METCA Methane monooxygenase component A alpha chain (Gene Name=mmoX)

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