Structure of PDB 1w7n Chain A Binding Site BS01

Receptor Information
>1w7n Chain A (length=415) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLQARRLDGIDYNPWVEFVKLASEHDVVNLGQGFPDFPPPDFAVEAFQHA
VSGDFMLNQYTKTFGYPPLTKILASFFGELLGQEIDPLRNVLVTVGGYGA
LFTAFQALVDEGDEVIIIEPFFDCYEPMTMMAGGRPVFVSLKPGPGELGS
SSNWQLDPMELAGKFTSRTKALVLNTPNNPLGKVFSREELELVASLCQQH
DVVCITDEVYQWMVYDGHQHISIASLPGMWERTLTIGSAGKTFSATGWKV
GWVLGPDHIMKHLRTVHQNSVFHCPTQSQAAVAESFEREQLLFRQPSSYF
VQFPQAMQRCRDHMIRSLQSVGLKPLIPQGSYFLITDISDFKRKMPDLPG
AVDEPYDRRFVKWMIKNKGLVAIPVSIFYSVPHQKHFDHYIRFCFVKDEA
TLQAMDEKLRKWKVE
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 chain1w7n Chain A Residue 913 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1w7n Crystal Structure of Human Kynurenine Aminotransferase I
Resolution2.9 Å
Binding residue
(original residue number in PDB)		G99 G100 Y101 F125 N181 D213 V215 Y216 S244 K247 K255
Binding residue
(residue number reindexed from 1)		G96 G97 Y98 F122 N175 D207 V209 Y210 S238 K241 K249
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F125 D213 V215 K247
Catalytic site (residue number reindexed from 1) F122 D207 V209 K241
Enzyme Commision number 2.6.1.64: glutamine--phenylpyruvate transaminase.
2.6.1.7: kynurenine--oxoglutarate transaminase.
4.4.1.13: cysteine-S-conjugate beta-lyase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008483 transaminase activity
GO:0016212 kynurenine-oxoglutarate transaminase activity
GO:0016829 lyase activity
GO:0030170 pyridoxal phosphate binding
GO:0042803 protein homodimerization activity
GO:0047316 glutamine-phenylpyruvate transaminase activity
GO:0047804 cysteine-S-conjugate beta-lyase activity
Biological Process
GO:0009058 biosynthetic process
GO:0009617 response to bacterium
GO:0070189 kynurenine metabolic process
GO:0097053 L-kynurenine catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
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:1w7n, PDBe:1w7n, PDBj:1w7n
PDBsum1w7n
PubMed15364907
UniProtQ16773|KAT1_HUMAN Kynurenine--oxoglutarate transaminase 1 (Gene Name=KYAT1)

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