Structure of PDB 3zrr Chain A Binding Site BS02

Receptor Information
>3zrr Chain A (length=379) Species: 273057 (Saccharolobus solfataricus P2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LLHVGPTTIKEDVLVAGLENNVGFTSKEFVEALAYSLKGLRYVMGASKNY
QPLIIPGGGTSAMESVTSLLKPNDKILVVSNGVFGDRWEQIFKRYPVNVK
VLRPSPGDYVKPGEVEEEVRKSEYKLVALTHVETSTGVREPVKDVINKIR
KYVELIVVDGVSSVGAEEVKAEEWNVDVYLTASQKALGSAAGLGLLLLSP
KALSILDSQNSIAGYYLDLRNWLPVMRGAEEGKAAYFATPPVHVILQLAE
AFRLIEKEGIENRIKRHTMVASAIRAGLEALGLEIVARRPESYSNTVTGV
ILKVADPQKVLAGTVNEGVEFAPGVHPAFKYFRIGHMGWVTPNDAIIAIS
VIERTLRKLGEPIRFGEGVKAVEEVLFSA
Ligand information
Ligand IDPXG
InChIInChI=1S/C15H17N2O7P/c1-9-14(18)13(11(6-16-9)8-24-25(21,22)23)7-17-12-4-2-3-10(5-12)15(19)20/h2-6,17-18H,7-8H2,1H3,(H,19,20)(H2,21,22,23)
InChIKeyWSOQXCGRIUHULI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c1cc(ccc1)NCc2c(cnc(c2O)C)COP(=O)(O)O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CNc2cccc(c2)C(O)=O)c1O
FormulaC15 H17 N2 O7 P
Name3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID
ChEMBL
DrugBank
ZINC
PDB chain3zrr Chain B Residue 470 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3zrr Crystal Structure and Substrate Specificity of the Thermophilic Serine:Pyruvate Aminotransferase from Sulfolobus Solfataricus
Resolution1.99 Å
Binding residue
(original residue number in PDB)		F28 Y240 T243
Binding residue
(residue number reindexed from 1)		F24 Y236 T239
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.51: serine--pyruvate transaminase.
Gene Ontology
Molecular Function
GO:0004760 L-serine-pyruvate transaminase activity
GO:0008453 alanine-glyoxylate transaminase activity
GO:0008483 transaminase activity
GO:0046872 metal ion binding
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:3zrr, PDBe:3zrr, PDBj:3zrr
PDBsum3zrr
PubMed22751661
UniProtQ97VM5

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