Structure of PDB 3qy8 Chain A Binding Site BS04

Receptor Information

>3qy8 Chain A (length=243) Species: 1313 (Streptococcus pneumoniae)

MIDIHSHIVFDVDDGPKSREESKALLAESYRQGVRTIVSTSHRRKGMFET
PEEKIAENFLQVREIAKEVASDLVIAYGAEIYYTPDVLDKLEKKRIPTLN
DSRYALIEFSMNTPYRDIHSALSKILMLGITPVIAHIERYDALENNEKRV
RELIDMGCYTQVNSSHVLKPKLFGERYKFMKKRAQYFLEQDLVHVIASDM
HNLDGRPPHMAEAYDLVTQKYGEAKAQELFIDNPRKIVMDQLI

Ligand information

• Ligand ID: SO4
• InChI: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
• InChIKey: QAOWNCQODCNURD-UHFFFAOYSA-L
• SMILES:
  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
• Formula: O4 S
• Name: SULFATE ION
• DrugBank: DB14546
• PDB chain: 3qy8 Chain A Residue 255

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3qy8 Crystal structures of YwqE from Bacillus subtilis and CpsB from Streptococcus pneumoniae, unique metal-dependent tyrosine phosphatases.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): H7 H42 R139 D199 H201
• Binding residue (residue number reindexed from 1): H7 H42 R139 D199 H201
• 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:3qy8, PDBe:3qy8, PDBj:3qy8
• PDBsum: 3qy8
• PubMed: 21605684
• UniProt: Q9AHD4|CPSB_STRPN Tyrosine-protein phosphatase CpsB (Gene Name=cpsB)