Structure of PDB 3zrr Chain B Binding Site BS02

Receptor Information
>3zrr Chain B (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)		V8 G62 G63 T64 F88 T138 D163 V165 R337
Binding residue
(residue number reindexed from 1)		V4 G58 G59 T60 F84 T134 D159 V161 R333
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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