Structure of PDB 1kar Chain A Binding Site BS02

Receptor Information
>1kar 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 IDHSM
InChIInChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
InChIKeyNTYJJOPFIAHURM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(nc[nH]1)CCN
CACTVS 3.341NCCc1c[nH]cn1
ACDLabs 10.04n1c(cnc1)CCN
FormulaC5 H9 N3
NameHISTAMINE
ChEMBLCHEMBL90
DrugBankDB05381
ZINCZINC000000388081
PDB chain1kar 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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PDB1kar 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)		S140 H262 D360 Y361 H367
Binding residue
(residue number reindexed from 1)		S137 H259 D357 Y358 H364
Annotation score2
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1kar, PDBe:1kar, PDBj:1kar
PDBsum1kar
PubMed11842181
UniProtP06988|HISX_ECOLI Histidinol dehydrogenase (Gene Name=hisD)

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