Structure of PDB 5vlb Chain A Binding Site BS02

Receptor Information
>5vlb Chain A (length=434) Species: 3880 (Medicago truncatula) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IKTYHLSNLTQTELLSLKSRPRIDFSSVFDIVNPIVDDVHAHGDAAVKQY
TSKFDKVDLENIVELVSDLPDPVLDPAIKEAFDVAYSNIYAFHAAQKSPE
KSVENMKGVQCKRVARSINSVGLYVPGGTAVLPSTALMLAVPAQIAGCKT
IVLANPPTRDGTTCKEVLYCAKKAGVTHLLKAGGAQAISAMAWGTETCPK
VEKIFGPGNQYVTAAKMILQNSEAMVSIDMPAGPSEVLVIADKHAIPSHV
AADLLSQAEHGPDSQVVLVIAGDGVDQNAIQEEVSKQCQSLPRGEFAAKA
LSHSFIVHARDMLEAITFSNMYAPEHLIINVKDAEKWESFIENAGSVFLG
SWTPESVGDYASGTNHVLPTYGYARMYSGVSLDSFLKYITVQSLTEEGLR
KLGPYVETMAEVEGLEAHKRAVTLRLQDIEARQV
Ligand information
Ligand IDIMD
InChIInChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1
InChIKeyRAXXELZNTBOGNW-UHFFFAOYSA-O
SMILES
SoftwareSMILES
CACTVS 3.341[nH]1cc[nH+]c1
ACDLabs 10.04c1c[nH+]cn1
OpenEye OEToolkits 1.5.0c1c[nH+]c[nH]1
FormulaC3 H5 N2
NameIMIDAZOLE
ChEMBL
DrugBank
ZINC
PDB chain5vlb Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5vlb Structures of Medicago truncatula L-Histidinol Dehydrogenase Show Rearrangements Required for NAD(+) Binding and the Cofactor Positioned to Accept a Hydride.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		H302 D401
Binding residue
(residue number reindexed from 1)		H260 D359
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Q299 H302 E367 H368 D401 H460
Catalytic site (residue number reindexed from 1) Q257 H260 E325 H326 D359 H418
Enzyme Commision number 1.1.1.23: histidinol dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004399 histidinol dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0046872 metal ion binding
GO:0051287 NAD binding
Biological Process
GO:0000105 L-histidine biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0009507 chloroplast

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5vlb, PDBe:5vlb, PDBj:5vlb
PDBsum5vlb
PubMed28874718
UniProtG7IKX3

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