Structure of PDB 1kah Chain A Binding Site BS03

Receptor Information
>1kah Chain A (length=431) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTIIDWNSCTAEQQRQLLMRPAISASESITRTVNDILDNVKARGDEALRE
YSAKFDKTTVTALKVSAEEIAAASERLSDELKQAMAVAVKNIETFHTAQK
LPPVDVETQPGVRCQQVTRPVASVGLYIPGGSAPLFSTVLMLATPASIAG
CKKVVLCSPPPIADEILYAAQLCGVQDVFNVGGAQAIAALAFGTESVPKV
DKIFGPGNAFVTEAKRQVSQRLDGAAIDMPAGPSEVLVIADSGATPDFVA
SDLLSQAEHGPDSQVILLTPAADMARRVAEAVERQLAELPRAETARQALN
ASRLIVTKDLAQCVEISNQYGPEHLIIQTRNARELVDSITSAGSVFLGDW
SPESAGDYASGTNHVLPTYGYTATCSSLGLADFQKRMTVQELSKEGFSAL
ASTIETLAAAERLTAHKNAVTLRVNALKEQA
Ligand information
Ligand IDHIS
InChIInChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1
InChIKeyHNDVDQJCIGZPNO-YFKPBYRVSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c([nH+]c[nH]1)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c[nH+]1)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O
ACDLabs 10.04O=C(O)C(N)Cc1cnc[nH+]1
OpenEye OEToolkits 1.5.0c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N
FormulaC6 H10 N3 O2
NameHISTIDINE
ChEMBL
DrugBank
ZINC
PDB chain1kah Chain A Residue 503 [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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PDB1kah Mechanism of action and NAD+-binding mode revealed by the crystal structure of L-histidinol dehydrogenase.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		E414 L416 H419
Binding residue
(residue number reindexed from 1)		E411 L413 H416
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) Q259 H262 E326 H327 D360 H419
Catalytic site (residue number reindexed from 1) Q256 H259 E323 H324 D357 H416
Enzyme Commision number 1.1.1.23: histidinol dehydrogenase.
Gene Ontology
Molecular Function
GO:0004399 histidinol dehydrogenase activity
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
GO:0051287 NAD binding
Biological Process
GO:0000105 L-histidine biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1kah, PDBe:1kah, PDBj:1kah
PDBsum1kah
PubMed11842181
UniProtP06988|HISX_ECOLI Histidinol dehydrogenase (Gene Name=hisD)

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