Structure of PDB 1fg3 Chain A Binding Site BS01

Receptor Information
>1fg3 Chain A (length=354) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVTITDLARENVRNLTPYQSARRLGGNGDVWLNANEYPTAVEFQLTQQTL
NRYPECQPKAVIENYAQYAGVKPEQVLVSRGADEGIELLIRAFCEPGKDA
ILYCPPTYGMYSVSAETIGVECRTVPTLDNWQLDLQGISDKLDGVKVVYV
CSPNNPTGQLINPQDFRTLLELTRGKAIVVADEAYIEFCPQASLAGWLAE
YPHLAILRTLSKAFALAGLRCGFTLANEEVINLLMKVIAPYPLSTPVADI
AAQALSPQGIVAMRERVAQIIAEREYLIAALKEIPCVEQVFDSETNYILA
RFKASSAVFKSLWDQGIILRDQNKQPSLSGCLRITVGTREESQRVIDALR
AEQV
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain1fg3 Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1fg3 Crystal structure of histidinol phosphate aminotransferase (HisC) from Escherichia coli, and its covalent complex with pyridoxal-5'-phosphate and l-histidinol phosphate.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		G83 A84 D85 Y110 N157 D184 A186 Y187 T211 S213 K214 R222
Binding residue
(residue number reindexed from 1)		G81 A82 D83 Y108 N155 D182 A184 Y185 T209 S211 K212 R220
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:0042802 identical protein binding
Biological Process
GO:0000105 L-histidine biosynthetic process
GO:0009058 biosynthetic process
Cellular Component
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:1fg3, PDBe:1fg3, PDBj:1fg3
PDBsum1fg3
PubMed11518529
UniProtP06986|HIS8_ECOLI Histidinol-phosphate aminotransferase (Gene Name=hisC)

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