Structure of PDB 5vlc Chain A Binding Site BS01

Receptor Information
>5vlc Chain A (length=431) Species: 3880 (Medicago truncatula) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PIKTYHLSNLTQTELLSLKSRPRISVFDIVNPIVDDVHAHGDAAVKQYTS
KFDKVDLENIVELVSDLPDPVLDPAIKEAFDVAYSNIYAFHAAQKSPEKS
VENMKGVQCKRVARSINSVGLYVPGGTAVLPSTALMLAVPAQIAGCKTIV
LANPPTRDGTTCKEVLYCAKKAGVTHLLKAGGAQAISAMAWGTETCPKVE
KIFGPGNQYVTAAKMILQNSEAMVSIDMPAGPSEVLVIADKHAIPSHVAA
DLLSQAEHGPDSQVVLVIAGDGVDQNAIQEEVSKQCQSLPRGEFAAKALS
HSFIVHARDMLEAITFSNMYAPEHLIINVKDAEKWESFIENAGSVFLGSW
TPESVGDYASGTNHVLPTYGYARMYSGVSLDSFLKYITVQSLTEEGLRKL
GPYVETMAEVEGLEAHKRAVTLRLQDIEARQ
Ligand information
Ligand IDHSO
InChIInChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/p+1/t5-/m0/s1
InChIKeyZQISRDCJNBUVMM-YFKPBYRVSA-O
SMILES
SoftwareSMILES
CACTVS 3.385N[C@H](CO)Cc1c[nH]c[nH+]1
CACTVS 3.385N[CH](CO)Cc1c[nH]c[nH+]1
OpenEye OEToolkits 1.7.6c1c([nH+]c[nH]1)CC(CO)N
ACDLabs 12.01NC(CO)Cc1[nH+]cnc1
OpenEye OEToolkits 1.7.6c1c([nH+]c[nH]1)C[C@@H](CO)N
FormulaC6 H12 N3 O
NameL-histidinol
ChEMBL
DrugBankDB03811
ZINC
PDB chain5vlc Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5vlc Structures of Medicago truncatula L-Histidinol Dehydrogenase Show Rearrangements Required for NAD(+) Binding and the Cofactor Positioned to Accept a Hydride.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		H302 E367 H368 D401 Y402 H408
Binding residue
(residue number reindexed from 1)		H258 E323 H324 D357 Y358 H364
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) Q299 H302 E367 H368 D401 H460
Catalytic site (residue number reindexed from 1) Q255 H258 E323 H324 D357 H416
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:5vlc, PDBe:5vlc, PDBj:5vlc
PDBsum5vlc
PubMed28874718
UniProtG7IKX3

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