Structure of PDB 3e2z Chain B Binding Site BS03

Receptor Information
>3e2z Chain B (length=410) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAKRIEGLDSNVWVEFTKLAADPSVVNLGQGFPDISPPSYVKEELSKAAF
IDNMNQYTRGFGHPALVKALSCLYGKIYQRQIDPNEEILVAVGAYGSLFN
SIQGLVDPGDEVIIMVPFYDCYEPMVRMAGAVPVFIPLRSKPTDGMKWTS
SDWTFDPRELESKFSSKTKAIILNTPHNPLGKVYTRQELQVIADLCVKHD
TLCISDEVYEWLVYTGHTHVKIATLPGMWERTITIGSAGKTFSVTGWKLG
WSIGPAHLIKHLQTVQQNSFYTCATPLQAALAEAFWIDIKRMDDPECYFN
SLPKELEVKRDRMVRLLNSVGLKPIVPDGGYFIIADVSSLGADLSDMNSD
EPYDYKFVKWMTKHKKLTAIPVSAFCDSKSKPHFEKLVRFCFIKKDSTLD
AAEEIFRAWN
Ligand information
Ligand IDKYN
InChIInChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
InChIKeyYGPSJZOEDVAXAB-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(c(c1)C(=O)CC(C(=O)O)N)N
CACTVS 3.370N[C@@H](CC(=O)c1ccccc1N)C(O)=O
ACDLabs 12.01O=C(c1ccccc1N)CC(C(=O)O)N
CACTVS 3.370N[CH](CC(=O)c1ccccc1N)C(O)=O
OpenEye OEToolkits 1.7.6c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)N
FormulaC10 H12 N2 O3
Name(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid;
L-KYNURENINE
ChEMBLCHEMBL498416
DrugBankDB02070
ZINCZINC000000895186
PDB chain3e2z Chain B Residue 457 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3e2z Correction for Han et al., "Biochemical and Structural Properties of Mouse Kynurenine Aminotransferase III".
Resolution2.81 Å
Binding residue
(original residue number in PDB)		W54 G72 R430
Binding residue
(residue number reindexed from 1)		W13 G31 R389
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) Y160 D247 V249 K281
Catalytic site (residue number reindexed from 1) Y119 D206 V208 K240
Enzyme Commision number 2.6.1.63: kynurenine--glyoxylate transaminase.
2.6.1.7: kynurenine--oxoglutarate transaminase.
4.4.1.13: cysteine-S-conjugate beta-lyase.
Gene Ontology
Molecular Function
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:0047315 kynurenine-glyoxylate transaminase activity
GO:0047804 cysteine-S-conjugate beta-lyase activity
Biological Process
GO:0006103 2-oxoglutarate metabolic process
GO:0006520 amino acid metabolic process
GO:0009058 biosynthetic process
GO:0070189 kynurenine metabolic process
GO:0097053 L-kynurenine catabolic process
Cellular Component
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:3e2z, PDBe:3e2z, PDBj:3e2z
PDBsum3e2z
PubMed29712768
UniProtQ71RI9|KAT3_MOUSE Kynurenine--oxoglutarate transaminase 3 (Gene Name=Kyat3)

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