Structure of PDB 2yri Chain B Binding Site BS02

Receptor Information
>2yri Chain B (length=352) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLLLTPGPTPIPERVQKALLRPMRGHLDPEVLRVNRAIQERLAALFDPGE
GALVAALAGSGSLGMEAGLANLDRGPVLVLVNGAFSQRVAEMAALHGLDP
EVLDFPPGEPVDPEAVARALKRRRYRMVALVHGETSTGVLNPAEAIGALA
KEAGALFFLDAVTTLGMLPFSMRAMGVDYAFTGSQKCLSAPPGLAPIAAS
LEARKAFTGKRGWYLDLARVAEHWERGGYHHTTPVLLHYALLEALDLVLE
EGVAARERRAREVYAWVLEELKARGFRPYPKASPLPTVLVVRPPEGVDAD
RLVRALYAEGVAVAGGIGPTRGQVLRLGLMGEGARREAYQAFLKALDRAL
AL
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 chain2yri 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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PDB2yri hypothetical alanine aminotransferase (TTHA0173) from Thermus thermophilus HB8
Resolution2.05 Å
Binding residue
(original residue number in PDB)		S60 G61 S62 F85 T135 D160 V162 K186
Binding residue
(residue number reindexed from 1)		S60 G61 S62 F85 T135 D160 V162 K186
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.-.-
Gene Ontology
Molecular Function
GO:0004760 L-serine-pyruvate transaminase activity
GO:0008453 alanine-glyoxylate transaminase activity
GO:0008483 transaminase activity
Biological Process
GO:0019265 glycine biosynthetic process, by transamination of glyoxylate
Cellular Component
GO:0005777 peroxisome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2yri, PDBe:2yri, PDBj:2yri
PDBsum2yri
PubMed
UniProtQ5SLX0

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