Structure of PDB 1yiy Chain A Binding Site BS01

Receptor Information
>1yiy Chain A (length=418) Species: 7159 (Aedes aegypti) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KFDLPKRYQGSTKSVWVEYIQLAAQYKPLNLGQGFPDYHAPKYALNALAA
AANSPDPLANQYTRGFGHPRLVQALSKLYSQLVDRTINPMTEVLVTVGAY
EALYATIQGHVDEGDEVIIIEPFFDCYEPMVKAAGGIPRFIPLKPNKTGG
TISSADWVLDNNELEALFNEKTKMIIINTPHNPLGKVMDRAELEVVANLC
KKWNVLCVSDEVYEHMVFEPFEHIRICTLPGMWERTITIGSAGKTFSLTG
WKIGWAYGPEALLKNLQMVHQNCVYTCATPIQEAIAVGFETELKRLKSPE
CYFNSISGELMAKRDYMASFLAEVGMNPTVPQGGYFMVADWSSLDSKVDL
TQETDARKDYRFTKWMTKSVGLQGIPPSAFYSEPNKHLGEDFVRYCFFKK
DENLQKAAEILRKWKGSS
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 chain1yiy 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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PDB1yiy Crystal structures of Aedes aegypti kynurenine aminotransferase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G109 A110 Y111 F135 N189 D221 V223 Y224 S252 K255 K263
Binding residue
(residue number reindexed from 1)		G98 A99 Y100 F124 N178 D210 V212 Y213 S241 K244 K252
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F135 D221 V223 K255
Catalytic site (residue number reindexed from 1) F124 D210 V212 K244
Enzyme Commision number 2.6.1.-
2.6.1.63: kynurenine--glyoxylate transaminase.
2.6.1.7: kynurenine--oxoglutarate transaminase.
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0016212 kynurenine-oxoglutarate transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0047315 kynurenine-glyoxylate transaminase activity
Biological Process
GO:0009058 biosynthetic process
GO:0097053 L-kynurenine catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1yiy, PDBe:1yiy, PDBj:1yiy
PDBsum1yiy
PubMed15853804
UniProtQ17CS8|KAT_AEDAE Kynurenine aminotransferase (Gene Name=KAT)

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