Structure of PDB 4uas Chain B Binding Site BS01

Receptor Information

>4uas Chain B (length=225) Species: 1063 (Cereibacter sphaeroides)

MIEAILFDVDGTLAETEELHRRAFNETFAALGVDWFWDREEYRELLTTTG
GKERIARFLRHQKGDPAPLPIADIHRAKTERFVALMAEGEIALRPGIADL
IAEAKRAGIRLAVATTTSLPNVEALCRACFGHPAREIFDVIAAGDMVAEK
KPSPDIYRLALRELDVPPERAVALEDSLNGLRAAKGAGLRCIVSPGFYTR
HEEFAGADRLLDSFAELGGLAGLDL

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: 4uas Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4uas Degradation of potent Rubisco inhibitor by selective sugar phosphatase.
• Resolution: 1.2 Å
• Binding residue (original residue number in PDB): D8 V9 D10 T115 T116
• Binding residue (residue number reindexed from 1): D8 V9 D10 T115 T116
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D8 V9 D10 T16 T47 T115 T116 K151 E175 D176
• Catalytic site (residue number reindexed from 1): D8 V9 D10 T16 T47 T115 T116 K151 E175 D176
• Enzyme Commision number: 3.1.3.-

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0005998 xylulose catabolic process

External links

• PDB: RCSB:4uas, PDBe:4uas, PDBj:4uas
• PDBsum: 4uas
• PubMed: 27246049
• UniProt: P95649|CBBY_CERSP Protein CbbY (Gene Name=cbbY)