Structure of PDB 1xve Chain B Binding Site BS03

Receptor Information
>1xve 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 ID3BB
InChIInChI=1S/C4H7BrO/c1-4(5)2-3-6/h6H,1-3H2
InChIKeyRTKMFQOHBDVEBC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=C(CCO)Br
CACTVS 3.341OCCC(Br)=C
ACDLabs 10.04Br/C(=C)CCO
FormulaC4 H7 Br O
Name3-BROMOBUT-3-EN-1-OL;
3-BROMO-3-BUTEN-1-OL
ChEMBL
DrugBankDB04592
ZINCZINC000002530726
PDB chain1xve Chain B Residue 1176 [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]
PDB1xve Product Bound Structures of the Soluble Methane Monooxygenase Hydroxylase from Methylococcus capsulatus (Bath): Protein Motion in the Alpha-Subunit
Resolution2.4 Å
Binding residue
(original residue number in PDB)		G113 E114 E144 F188 F192 E209 T213
Binding residue
(residue number reindexed from 1)		G96 E97 E127 F171 F175 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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1xve, PDBe:1xve, PDBj:1xve
PDBsum1xve
PubMed15839679
UniProtP22869|MEMA_METCA Methane monooxygenase component A alpha chain (Gene Name=mmoX)

[Back to BioLiP]