Structure of PDB 4uat Chain B Binding Site BS01

Receptor Information

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

MIEAILFDVNGTLAETEELHRRAFNETFAALGVDWFWDREEYRELLTTTG
GKERIARFLRHQKGDPAPLPIADIHRAKTERFVALMAEGEIALRPGIADL
IAEAKRAGIRLAVATTTSLPNVEALCRACFGHPAREIFDVIAAGDMVAEK
KPSPDIYRLALRELDVPPERAVALEDSLNGLRAAKGAGLRCIVSPGFYTR
HEEFAGADRLLDSFAELGGLAGLDL

Ligand information

• Ligand ID: XBP
• InChI: InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,5+/m1/s1
• InChIKey: YAHZABJORDUQGO-WUJLRWPWSA-N
• SMILES:
  CACTVS 3.341: O[CH](CO[P](O)(O)=O)[CH](O)C(=O)CO[P](O)(O)=O
  ACDLabs 10.04: O=P(O)(O)OCC(=O)C(O)C(O)COP(=O)(O)O
  OpenEye OEToolkits 1.5.0: C(C(C(C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O
  CACTVS 3.341: O[C@H](CO[P](O)(O)=O)[C@H](O)C(=O)CO[P](O)(O)=O
  OpenEye OEToolkits 1.5.0: C([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O
• Formula: C5 H12 O11 P2
• Name: XYLULOSE-1,5-BISPHOSPHATE
• PDB chain: 4uat Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4uat Degradation of potent Rubisco inhibitor by selective sugar phosphatase.
• Resolution: 1.3 Å
• Binding residue (original residue number in PDB): D8 V9 N10 E17 H20 T49 G50 G51 R54 H75 K78 T115 T116 T117 S118
• Binding residue (residue number reindexed from 1): D8 V9 N10 E17 H20 T49 G50 G51 R54 H75 K78 T115 T116 T117 S118
• Annotation score: 5

Enzymatic activity

• Catalytic site (original residue number in PDB): D8 V9 N10 T16 T47 T115 T116 K151 E175 D176
• Catalytic site (residue number reindexed from 1): D8 V9 N10 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:4uat, PDBe:4uat, PDBj:4uat
• PDBsum: 4uat
• PubMed: 27246049
• UniProt: P95649|CBBY_CERSP Protein CbbY (Gene Name=cbbY)