Structure of PDB 3cq5 Chain B Binding Site BS01

Receptor Information
>3cq5 Chain B (length=366) Species: 196627 (Corynebacterium glutamicum ATCC 13032) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTKITLSDLPLREELRGEHAYGAPQLNVDIRLNTNENPYPPSEALVADLV
ATVDKIATELNRYPERDAVELRDELAAYITKQTGVAVTRDNLWAANGSNE
ILQQLLQAFGGPGRTALGFQPSYSMHPILAKGTHTEFIAVSRGADFRIDM
DVALEEIRAKQPDIVFVTTPNNPTGDVTSLDDVERIINVAPGIVIVDEAY
AEFSPSPSATTLLEKYPTKLVVSRTMSKAFDFAGGRLGYFVANPAFIDAV
MLVRLPYHLSALSQAAAIVALRHSADTLGTVEKLSVERVRVAARLEELGY
AVVPSESNFVFFGDFSDQHAAWQAFLDRGVLIRDVGIAGHLRTTIGVPEE
NDAFLDAAAEIIKLNL
Ligand information
Ligand IDPMP
InChIInChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
InChIKeyZMJGSOSNSPKHNH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CN)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CN)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CN)c1O
FormulaC8 H13 N2 O5 P
Name4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE;
PYRIDOXAMINE-5'-PHOSPHATE
ChEMBLCHEMBL1235353
DrugBankDB02142
ZINCZINC000001532708
PDB chain3cq5 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3cq5 Insights into the structural basis of substrate recognition by histidinol-phosphate aminotransferase from Corynebacterium glutamicum
Resolution1.8 Å
Binding residue
(original residue number in PDB)		G97 S98 N99 Y123 N172 D197 A199 Y200 T225 S227 K228 R236
Binding residue
(residue number reindexed from 1)		G97 S98 N99 Y123 N172 D197 A199 Y200 T225 S227 K228 R236
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:3cq5, PDBe:3cq5, PDBj:3cq5
PDBsum3cq5
PubMed18560156
UniProtQ9KJU4|HIS8_CORGL Histidinol-phosphate aminotransferase (Gene Name=hisC)

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