Structure of PDB 1wa3 Chain D Binding Site BS02

Receptor Information
>1wa3 Chain D (length=203) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KMEELFKKHKIVAVLRANSVEEAKEKALAVFEGGVHLIEITFTVPDADTV
IKELSFLKEKGAIIGAGTVTSVEQCRKAVESGAEFIVSPHLDEEISQFCK
EKGVFYMPGVMTPTELVKAMKLGHTILKLFPGEVVGPQFVKAMKGPFPNV
KFVPTGGVNLDNVCEWFKAGVLAVGVGSALVKGTPDEVREKAKAFVEKIR
GCT
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1wa3 Chain D Residue 1206 [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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PDB1wa3 Mechanism of the Class I Kdpg Aldolase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G158 G178 S179
Binding residue
(residue number reindexed from 1)		G157 G177 S178
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E40 T44 K129
Catalytic site (residue number reindexed from 1) E39 T43 K128
Enzyme Commision number 4.1.2.14: 2-dehydro-3-deoxy-phosphogluconate aldolase.
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:1wa3, PDBe:1wa3, PDBj:1wa3
PDBsum1wa3
PubMed16403639
UniProtQ9WXS1

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