Structure of PDB 1xve Chain C Binding Site BS02

Receptor Information
>1xve Chain C (length=388) Species: 414 (Methylococcus capsulatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMLGERRRGLTDPEMAAVILKALPEAPLDGNNKMGYFVTPRWKRLTEYEA
LTVYAQPNADWIAGGLDWGDWTQKFHGGRPSWGNETTELRTVDWFKHRDP
LRRWHAPYVKDKAEEWRYTDRFLQGYSADGQIRAMNPTWRDEFINRYWGA
FLFNEYGLFNAHSQGAREALSDVTRVSLAFWGFDKIDIAQMIQLERGFLA
KIVPGFDESTAVPKAEWTNGEVYKSARLAVEGLWQEVFDWNESAFSVHAV
YDALFGQFVRREFFQRLAPRFGDNLTPFFINQAQTYFQIAKQGVQDLYYN
CLGDDPEFSDYNRTVMRNWTGKWLEPTIAALRDFMGLFAKLPAGTTDKEE
ITASLYRVVDDWIEDYASRIDFKADRDQIVKAVLAGLK
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 C Residue 510 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		V39 T40 Y55
Binding residue
(residue number reindexed from 1)		V38 T39 Y54
Annotation score1
Enzymatic activity
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:0016709 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen
Biological Process
GO:0006730 one-carbon metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1xve, PDBe:1xve, PDBj:1xve
PDBsum1xve
PubMed15839679
UniProtP18798|MEMB_METCA Methane monooxygenase component A beta chain (Gene Name=mmoY)

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