Structure of PDB 3ihj Chain A Binding Site BS01

Receptor Information
>3ihj Chain A (length=461) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLYFQSMTLESMNPQVKAVEYAVRGPIVLKAGEIELELQRGIKKPFTEVI
RANPITFLRQVMALCTYPNLLDSPSFPEDAKKRARRILQACSQGVNCIRE
DVAAYITRRDGGVPADPDNIYLTTGASDGISTILKILVSGGGKSRTGVMI
PIPQYPLYSAVISELDAIQVNYYLDEENCWALNVNELRRAVQEAKDHCDP
KVLCIINPGNPTGQVQSRKCIEDVIHFAWEEKLFLLADEVYQDNVYSPDC
RFHSFKKVLYEMGPEYSSNVELASFHSTSKGYMGECGYRGGYMEVINLHP
EIKGQLVKLLSVRLCPPVSGQAAMDIVVNPPVAGEESFEQFSREKESVLG
NLAKKAKLTEDLFNQVPGIHCNPLQGAMYAFPRIFIPAKAVEAAQAHQMA
PDMFYCMKLLEETGICVVPGSGFGQREGTYHFRMTILPPVEKLKTVLQKV
KDFHINFLEKY
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 chain3ihj Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ihj Human glutamate pyruvate transaminase 2
Resolution2.3 Å
Binding residue
(original residue number in PDB)		G186 A187 S188 Y216 D299 V301 S338 K341 R350
Binding residue
(residue number reindexed from 1)		G125 A126 S127 Y155 D238 V240 S277 K280 R289
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y216 D299 V301 K341
Catalytic site (residue number reindexed from 1) Y155 D238 V240 K280
Enzyme Commision number 2.6.1.2: alanine transaminase.
Gene Ontology
Molecular Function
GO:0004021 L-alanine:2-oxoglutarate aminotransferase activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0006103 2-oxoglutarate metabolic process
GO:0009058 biosynthetic process
GO:0042851 L-alanine metabolic process
GO:0042853 L-alanine catabolic process
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ihj, PDBe:3ihj, PDBj:3ihj
PDBsum3ihj
PubMed
UniProtQ8TD30|ALAT2_HUMAN Alanine aminotransferase 2 (Gene Name=GPT2)

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