Structure of PDB 7cgq Chain A Binding Site BS02

Receptor Information
>7cgq Chain A (length=306) Species: 192 (Azospirillum brasilense) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVSLGVVGIGKIARDQHLPAIDAEPGFKLTACASRHAEVTGVRNYRDLRA
LLAAERELDAVSLCAPPQVRYAQARAALEAGKHVMLEKPPGATLGEVAVL
EALARERGLTLFATWHSRCASAVEPAREWLATRAIRAVQVRWKADVRRWH
PGQQWIWEPGGLGVFDPGINALSIVTRILPRELVLREATLIVPSDVQTPI
AAELDCADTDGVPVRAEFDWRHGPVEQWEIAVDTADGVLAISRGGAQLSI
AGEPVELGPEREYPALYAHFHALIARGESDVDVRPLRLVADAFLFGRRVQ
TDAFGR
Ligand information
Ligand IDARA
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5+/m0/s1
InChIKeySRBFZHDQGSBBOR-QMKXCQHVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.5.0C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
CACTVS 3.341O[C@H]1CO[C@@H](O)[C@H](O)[C@H]1O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namealpha-L-arabinopyranose;
alpha-L-arabinose;
L-arabinose;
arabinose
ChEMBLCHEMBL505348
DrugBank
ZINCZINC000001532575
PDB chain7cgq Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7cgq Crystal structure of bacterial L-arabinose 1-dehydrogenase in complex with L-arabinose and NADP+
Resolution2.208 Å
Binding residue
(original residue number in PDB)		K91 H119 H153 P170 N173
Binding residue
(residue number reindexed from 1)		K88 H116 H150 P167 N170
Annotation score5
Enzymatic activity
Enzyme Commision number 1.1.1.120: galactose 1-dehydrogenase (NADP(+)).
1.1.1.376: L-arabinose 1-dehydrogenase [NAD(P)(+)].
1.1.1.48: D-galactose 1-dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0019151 galactose 1-dehydrogenase activity
GO:0044103 L-arabinose 1-dehydrogenase (NADP+) activity
GO:0047910 galactose 1-dehydrogenase (NADP+) activity
GO:0050022 L-arabinose 1-dehydrogenase (NAD+) activity
GO:0070401 NADP+ binding
GO:0070403 NAD+ binding
Biological Process
GO:0019568 arabinose catabolic process
GO:0019570 L-arabinose catabolic process to 2-oxoglutarate
GO:0019572 L-arabinose catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7cgq, PDBe:7cgq, PDBj:7cgq
PDBsum7cgq
PubMed
UniProtQ53TZ2|ARAA_AZOBR L-arabinose 1-dehydrogenase (NAD(P)(+)) (Gene Name=araA)

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