Structure of PDB 1k20 Chain B Binding Site BS02

Receptor Information

>1k20 Chain B (length=310) Species: 1302 (Streptococcus gordonii)

SKILVFGHQNPDSDAIGSSYAFAYLAREAYGLDTEAVALGEPNEETAFVL
DYFGVAAPRVITSAKAEGAEQVILTDHNEFQQSVADIAEVEVYGVVDHHR
VANFETANPLYMRLEPVGSASSIVYRMFKEHSVAVSKEIAGLMLSGLISD
TLLLKSPTTHPTDKAIAPELAELAGVNLEEYGLAMLKAGTNLASKSAEEL
IDIDAKTFELNGNNVRVAQVNTVDIAEVLERQAEIEAAIEKAIADNGYSD
FVLMITDIINSNSEILAIGSNMDKVEAAFNFVLENNHAFLAGAVSRKKQV
VPQLTESFNA

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 1k20 Chain B Residue 704

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1k20 The "open" and "closed" structures of the type-C inorganic pyrophosphatases from Bacillus subtilis and Streptococcus gordonii.
• Resolution: 1.5 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:1k20, PDBe:1k20, PDBj:1k20
• PDBsum: 1k20
• PubMed: 11697905
• UniProt: P95765|PPAC_STRGC Probable manganese-dependent inorganic pyrophosphatase (Gene Name=ppaC)