Structure of PDB 5veq Chain B Binding Site BS01

Receptor Information
>5veq Chain B (length=396) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANAKRIEGLDSNVWVEFDPSVVNLGQGFPDISPPSYVKEELSKAAFIDNM
NQYTRGFGHPALVKALSCLYGKIYQRQIDPNEEILVAVGAYGSLFNSIQG
LVDPGDEVIIMVPFYDCYEPMVRMAGAVPVFIPLRSKPTDGMKWTSSDWT
FDPRELESKFSSKTKAIILNTPHNPLGKVYTRQELQVIADLCVKHDTLCI
SDEVYEWLVYTGHTHVKIATLPGMWERTITIGSAGKTFSVTGWKLGWSIG
PAHLIKHLQTVQQNSFYTCATPLQAALAEAFWIDIKRMDDPECYFNSLPK
ELEVKRDRMVRLLNSVGLKPIVPDGGYFIIADVSSLEPYDYKFVKWMTKH
KKLTAIPVSAFCDSKSKPHFEKLVRFCFIKKDSTLDAAEEIFRAWN
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 chain5veq Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5veq Detect, correct, retract: How to manage incorrect structural models.
Resolution2.26 Å
Binding residue
(original residue number in PDB)		G134 A135 Y136 Y160 N215 N219 D247 Y250 S278 K281 K289
Binding residue
(residue number reindexed from 1)		G89 A90 Y91 Y115 N170 N174 D202 Y205 S233 K236 K244
Annotation score1
Enzymatic activity
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:5veq, PDBe:5veq, PDBj:5veq
PDBsum5veq
PubMed29113027
UniProtQ71RI9|KAT3_MOUSE Kynurenine--oxoglutarate transaminase 3 (Gene Name=Kyat3)

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