Structure of PDB 2f8j Chain B Binding Site BS01

Receptor Information
>2f8j Chain B (length=333) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPLDLIAKRAYPYETEKRDKTYLALNENPFPFPEDLVDEVFRRLNSDALR
IYYDSPDEELIEKILSYLDTDFLSKNNVSVGNGADEIIYVMMLMFDRSVF
FPPTYSCYRIFAKAVGAKFLEVPLTKDLRIPEVNVGEGDVVFIPNPNNPT
GHVFEREEIERILKTGAFVALDEAYYEFHGESYVDFLKKYENLAVIRTFS
KAFSLAAQRVGYVVASEKFIDAYNRVRLPFNVSYVSQMFAKVALDHREIF
EERTKFIVEERERMKSALREMGYRITDSRGNFVFVFMEKEEKERLLEHLR
TKNVAVRSFREGVRITIGKREENDMILRELEVF
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 chain2f8j Chain B Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2f8j Crystal structure of Histidinol-phosphate aminotransferase (EC 2.6.1.9) (Imidazole acetol-phosphate transferase) (tm1040) from Thermotoga maritima at 2.40 A resolution
Resolution2.4 Å
Binding residue
(original residue number in PDB)		G84 A85 D86 Y106 D173 A175 Y176 T199 S201 K202 R210
Binding residue
(residue number reindexed from 1)		G83 A84 D85 Y105 D172 A174 Y175 T198 S200 K201 R209
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:0016740 transferase activity
GO:0030170 pyridoxal phosphate binding
GO:0042803 protein homodimerization activity
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:2f8j, PDBe:2f8j, PDBj:2f8j
PDBsum2f8j
PubMed
UniProtQ9X0D0|HIS8_THEMA Histidinol-phosphate aminotransferase (Gene Name=hisC)

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