Structure of PDB 1wpp Chain A Binding Site BS02

Receptor Information

>1wpp Chain A (length=310) Species: 29390 (Streptococcus gordonii str. Challis)

SKILVFGHQNPDSDAIGSSYAFAYLAREAYGLDTEAVALGEPNEETAFVL
DYFGVAAPRVITSAKAEGAEQVILTDHNEFQQSVADIAEVEVYGVVDHHR
VANFETASPLYMRLEPVGSASSIVYRMFKEHGVAVPKEIAGLMLSGLISD
TLLLKSPTTHPTDKVIAPELAELAGVNLEEYGLAMLKAGTNLASKSAEEL
IDIDAKTFELNGNNVRVAQVNTVDIAEVLERQAEIEAAIEKAIADNGYSD
FVLMITDIINSNSEILAIGSNMDKVEAAFNFVLENNHAFLAGAVSRKKQV
VPQLTESFNA

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 1wpp Chain A Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1wpp Structural Studies of Metal Ions in Family II Pyrophosphatases: The Requirement for a Janus Ion
• Resolution: 2.05 Å
• Binding residue (original residue number in PDB): D15 D77 H99 D151
• Binding residue (residue number reindexed from 1): D14 D76 H98 D150
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.6.1.1: inorganic diphosphatase.

Gene Ontology

Molecular Function

• GO:0004427 inorganic diphosphate phosphatase activity
• GO:0016462 pyrophosphatase activity
• GO:0016787 hydrolase activity
• GO:0030145 manganese ion binding
• GO:0046872 metal ion binding

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:1wpp, PDBe:1wpp, PDBj:1wpp
• PDBsum: 1wpp
• PubMed: 15533045
• UniProt: P95765|PPAC_STRGC Probable manganese-dependent inorganic pyrophosphatase (Gene Name=ppaC)