Structure of PDB 3cq6 Chain E Binding Site BS01

Receptor Information
>3cq6 Chain E (length=364) Species: 196627 (Corynebacterium glutamicum ATCC 13032) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KITLSDLPLREELRGEHAYGAPQLNVDIRLNTNENPYPPSEALVADLVAT
VDKIATELNRYPERDAVELRDELAAYITKQTGVAVTRDNLWAANGSNEIL
QQLLQAFGGPGRTALGFQPSYSMHPILAKGTHTEFIAVSRGADFRIDMDV
ALEEIRAKQPDIVFVTTPNNPTGDVTSLDDVERIINVAPGIVIVDEAYAE
FSPSPSATTLLEKYPTKLVVSRTMSKAFDFAGGRLGYFVANPAFIDAVML
VRLPYHLSALSQAAAIVALRHSADTLGTVEKLSVERVRVAARLEELGYAV
VPSESNFVFFGDFSDQHAAWQAFLDRGVLIRDVGIAGHLRTTIGVPEEND
AFLDAAAEIIKLNL
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain3cq6 Chain E Residue 402 [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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PDB3cq6 Insights into the structural basis of substrate recognition by histidinol-phosphate aminotransferase from Corynebacterium glutamicum
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Y21 S124 R333 R342
Binding residue
(residue number reindexed from 1)		Y19 S122 R331 R340
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.9: histidinol-phosphate transaminase.
Gene Ontology
Molecular Function
GO:0004400 histidinol-phosphate transaminase activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0000105 L-histidine biosynthetic process
GO:0009058 biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3cq6, PDBe:3cq6, PDBj:3cq6
PDBsum3cq6
PubMed18560156
UniProtQ9KJU4|HIS8_CORGL Histidinol-phosphate aminotransferase (Gene Name=hisC)

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