Structure of PDB 1wa3 Chain C Binding Site BS02

Receptor Information
>1wa3 Chain C (length=201) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEELFKKHKIVAVLRANSVEEAKEKALAVFEGGVHLIEITFTVPDADTVI
KELSFLKEKGAIIGAGTVTSVEQCRKAVESGAEFIVSPHLDEEISQFCKE
KGVFYMPGVMTPTELVKAMKLGHTILKLFPGEVVGPQFVKAMKGPFPNVK
FVPTGGVNLDNVCEWFKAGVLAVGVGSALVKGTPDEVREKAKAFVEKIRG
C
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 C Residue 1205 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1wa3 Mechanism of the Class I Kdpg Aldolase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G157 G158 G178 S179
Binding residue
(residue number reindexed from 1)		G155 G156 G176 S177
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E40 T44 K129
Catalytic site (residue number reindexed from 1) E38 T42 K127
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

[Back to BioLiP]