Structure of PDB 1wpn Chain A Binding Site BS03

Receptor Information
>1wpn Chain A (length=187) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKILIFGHQNPDTDTICSAIAYADLKNKLGFNAEPVRLGQVNGETQYALD
YFKQESPRLVETAANEVNGVILVDHNERQQSIKDIEEVQVLEVIDHHRIA
NFETAEPLYYRAEPVGCTATILNKMYKENNVKIEKEIAGLMLSAIISDSL
LFKSPTCTDQDVAAAKELAEIAGVDAEEYGLNMLKAG
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 chain1wpn Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wpn Structural Studies of Metal Ions in Family II Pyrophosphatases: The Requirement for a Janus Ion
Resolution1.3 Å
Binding residue
(original residue number in PDB)		Q90 T105 A106 E107
Binding residue
(residue number reindexed from 1)		Q89 T104 A105 E106
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.1: inorganic diphosphatase.
External links
PDB RCSB:1wpn, PDBe:1wpn, PDBj:1wpn
PDBsum1wpn
PubMed15533045
UniProtP37487|PPAC_BACSU Manganese-dependent inorganic pyrophosphatase (Gene Name=ppaC)

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