Structure of PDB 2dki Chain A Binding Site BS03

Receptor Information
>2dki Chain A (length=615) Species: 285 (Comamonas testosteroni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQFHLNGFRPGNPLIAPASPLAPAHTEAVPSQVDVLIVGCGPAGLTLAAQ
LAAFPDIRTCIVEQKEGPMELGQADGIACRTMEMFEAFEFADSILKEACW
INDVTFWKPDPGQPGRIARHGRVQDTEDGLSEFPHVILNQARVHDHYLER
MRNSPSRLEPHYARRVLDVKVDHGAADYPVTVTLERCDAAHAGQIETVQA
RYVVGCDGARSNVRRAIGRQLVGDSANQAWGVMDVLAVTDFPDVRYKVAI
QSEQGNVLIIPREGGHLVRFYVEMDRNITVEQLIATAQRVLHPYKLEVKN
VPWWSVYEIGQRICAKYDDVVDAVATPDSPLPRVFIAGDACHTHSPKAGQ
GMNFSMQDSFNLGWKLAAVLRKQCAPELLHTYSSERQVVAQQLIDFDREW
AKDPKEFQKYFEQHGRFTAGVGTHYAPSLLTGQAKHQALASGFTVGMRFH
SAPVVRVCDAKPVQLGHCGKADGRWRLYAFAAQNDLAQPESGLLALCRFL
EGDAASPLRRFTPAGQDIDSIFDLRAVFPQAYTEVALETLPALLLPPKGQ
LGMIDYEKVFSPDLKNAGQDIFELRGIDRQQGALVVVRPDQYVAQVLPLG
DHAALSAYFESFMRA
Ligand information
Ligand IDXE
InChIInChI=1S/Xe
InChIKeyFHNFHKCVQCLJFQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Xe]
FormulaXe
NameXENON
ChEMBLCHEMBL1236802
DrugBankDB13453
ZINC
PDB chain2dki Chain A Residue 645 [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]
PDB2dki Crystal structure of 3-hydroxybenzoate hydroxylase from Comamonas testosteroni has a large tunnel for substrate and oxygen access to the active site
Resolution2.5 Å
Binding residue
(original residue number in PDB)		P531 L532 F546
Binding residue
(residue number reindexed from 1)		P507 L508 F522
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D75 R262 Y271 P356
Catalytic site (residue number reindexed from 1) D75 R262 Y271 P346
Enzyme Commision number 1.14.13.23: 3-hydroxybenzoate 4-monooxygenase.
Gene Ontology
Molecular Function
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
GO:0018668 3-hydroxybenzoate 4-monooxygenase activity
GO:0042803 protein homodimerization activity
GO:0071949 FAD binding

View graph for
Molecular Function
External links
PDB RCSB:2dki, PDBe:2dki, PDBj:2dki
PDBsum2dki
PubMed17045293
UniProtQ6SSJ6|MOBA_COMTE 3-hydroxybenzoate 4-monooxygenase (Gene Name=mobA)

[Back to BioLiP]