Structure of PDB 2yri Chain A Binding Site BS01

Receptor Information
>2yri Chain A (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 IDMMM
InChIInChI=1S/C12H17N2O8P/c1-7-10(16)9(4-14-12(2,6-15)11(17)18)8(3-13-7)5-22-23(19,20)21/h3-4,15-16H,5-6H2,1-2H3,(H,17,18)(H2,19,20,21)/b14-4+/t12-/m0/s1
InChIKeyASXDVUDIJQGHKR-DRRTZOGYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=N[C](C)(CO)C(O)=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(C)(CO)C(=O)O)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=N[C@@](C)(CO)C(O)=O)c1O
ACDLabs 10.04O=C(O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)(C)CO
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@](C)(CO)C(=O)O)O
FormulaC12 H17 N2 O8 P
Name(S,E)-3-HYDROXY-2-((3-HYDROXY-2-METHYL-5-(PHOSPHONOOXYMETHYL)PYRIDIN-4-YL)METHYLENEAMINO)-2-METHYLPROPANOIC ACID
ChEMBL
DrugBank
ZINCZINC000058651587
PDB chain2yri 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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PDB2yri hypothetical alanine aminotransferase (TTHA0173) from Thermus thermophilus HB8
Resolution2.05 Å
Binding residue
(original residue number in PDB)		G7 S60 G61 S62 F85 T135 D160 V162 K186 R326
Binding residue
(residue number reindexed from 1)		G7 S60 G61 S62 F85 T135 D160 V162 K186 R326
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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