Structure of PDB 2wjf Chain A Binding Site BS01

Receptor Information

>2wjf Chain A (length=244) Species: 1313 (Streptococcus pneumoniae)

GMIDIHSHIVFDVDDGPKSREESKALLAESYRQGVRTIVSTSHRRKGMFE
TPEEKIAENFLQVREIAKEVASDLVIAYGAEIYYTPDVLDKLEKKRIPTL
NDSRYALIEFSMNTPYRDIHSALSKILMLGITPVIAHIERYDALENNEKR
VRELIDMGCYTQVNSSHVLKPKLFGERYKFMKKRAQYFLEQDLVHVIASD
MHNLDGRPPHMAEAYDLVTQKYGEAKAQELFIDNPRKIVMDQLI

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 2wjf Chain A Residue 1244

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2wjf Crystal Structures of Wzb of Escherichia Coli and Cpsb of Streptococcus Pneumoniae, Representatives of Two Families of Tyrosine Phosphatases that Regulate Capsule Assembly.
• Resolution: 2.22 Å
• Binding residue (original residue number in PDB): H42 R139 D199 H201 R206
• Binding residue (residue number reindexed from 1): H43 R140 D200 H202 R207
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.3.48: protein-tyrosine-phosphatase.

Gene Ontology

Molecular Function

• GO:0004721 phosphoprotein phosphatase activity
• GO:0004725 protein tyrosine phosphatase activity
• GO:0030145 manganese ion binding

Biological Process

• GO:0000271 polysaccharide biosynthetic process
• GO:0045227 capsule polysaccharide biosynthetic process

External links

• PDB: RCSB:2wjf, PDBe:2wjf, PDBj:2wjf
• PDBsum: 2wjf
• PubMed: 19616007
• UniProt: Q9AHD4|CPSB_STRPN Tyrosine-protein phosphatase CpsB (Gene Name=cpsB)