Structure of PDB 1xvb Chain B Binding Site BS03

Receptor Information
>1xvb Chain B (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 IDBHL
InChIInChI=1S/C6H13BrO/c7-5-3-1-2-4-6-8/h8H,1-6H2
InChIKeyFCMCSZXRVWDVAW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CCCBr)CCO
CACTVS 3.341OCCCCCCBr
ACDLabs 10.04BrCCCCCCO
FormulaC6 H13 Br O
Name6-BROMOHEXAN-1-OL;
6-BROMOHEXANOL
ChEMBLCHEMBL1231334
DrugBankDB04637
ZINCZINC000002242705
PDB chain1xvb Chain B Residue 1201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		G113 E114 A117 E144 F192 G208 E209 F212 L216 I217
Binding residue
(residue number reindexed from 1)		G96 E97 A100 E127 F175 G191 E192 F195 L199 I200
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:1xvb, PDBe:1xvb, PDBj:1xvb
PDBsum1xvb
PubMed15839679
UniProtP22869|MEMA_METCA Methane monooxygenase component A alpha chain (Gene Name=mmoX)

[Back to BioLiP]