Structure of PDB 2pp3 Chain B Binding Site BS02

Receptor Information
>2pp3 Chain B (length=395) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SANSDAVTYAKAANTRTAAETGDRIEWVKLSLAFLPLATPVSDAKVLTGR
QKPLTEVAIIIAEIRSRDGFEGVGFSYSKRAGGQGIYAHAKEIADNLLGE
DPNDIDKIYTKLLWAGASVGRSGMAVQAISPIDIALWDMKAKRAGLPLAK
LLGAHRDSVQCYNTSGGFLHTPLDQVLKNVVISRENGIGGIKLAVGQPNC
AEDIRRLTAVREALGDEFPLMVDANQQWDRETAIRMGRKMEQFNLIWIEE
PLDAYDIEGHAQLAAALDTPIATGEMLTSFREHEQLILGNASDFVQPDAP
RVGGISPFLKIMDLAAKHGRKLAPHFAMEVHLHLSAAYPLEPWLEHFEWL
NPLFNEQLELRDGRMWISDRHGLGFTLSEQARRWTQLTCEFGKRP
Ligand information
Ligand IDLGT
InChIInChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m1/s1
InChIKeyDSLZVSRJTYRBFB-AJSXGEPRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O
ACDLabs 10.04O=C(O)C(O)C(O)C(O)C(O)C(=O)O
CACTVS 3.341O[C@H]([C@@H](O)[C@@H](O)C(O)=O)[C@H](O)C(O)=O
CACTVS 3.341O[CH]([CH](O)[CH](O)C(O)=O)[CH](O)C(O)=O
OpenEye OEToolkits 1.5.0[C@@H]([C@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O
FormulaC6 H10 O8
NameL-GLUCARIC ACID
ChEMBL
DrugBank
ZINCZINC000013533920
PDB chain2pp3 Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2pp3 Evolution of enzymatic activities in the enolase superfamily: L-talarate/galactarate dehydratase from Salmonella typhimurium LT2.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D46 K82 K195 D226 N228 E278 H328 E348 F350
Binding residue
(residue number reindexed from 1)		D43 K79 K192 D223 N225 E275 H325 E345 F347
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) K48 S81 K195 A197 D226 N228 E252 G277 E278 D301 H328 E348
Catalytic site (residue number reindexed from 1) K45 S78 K192 A194 D223 N225 E249 G274 E275 D298 H325 E345
Enzyme Commision number 4.2.1.156: L-talarate dehydratase.
4.2.1.42: galactarate dehydratase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0008867 galactarate dehydratase activity
GO:0016829 lyase activity
GO:0016836 hydro-lyase activity
GO:0046872 metal ion binding
GO:1990594 L-altrarate dehydratase activity
Biological Process
GO:0009063 amino acid catabolic process
GO:0016052 carbohydrate catabolic process
GO:0046392 galactarate catabolic process
GO:1903663 L-altrarate catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2pp3, PDBe:2pp3, PDBj:2pp3
PDBsum2pp3
PubMed17649980
UniProtQ8ZL58|TAGAD_SALTY L-talarate/galactarate dehydratase (Gene Name=STM3697)

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