Structure of PDB 1wpn Chain B Binding Site BS01

Receptor Information
>1wpn Chain B (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 IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain1wpn Chain B Residue 603 [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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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)		H9 D13 D75
Binding residue
(residue number reindexed from 1)		H8 D12 D74
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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