Structure of PDB 3ww4 Chain A Binding Site BS03

Receptor Information

>3ww4 Chain A (length=241) Species: 285079 (Cellulomonas parahominis)

TRTAISRREYDEWLSEAASLARALRYPVTPEMVNDSAGIVFGDDQYEAFA
HGLWSREPYEVMVILESLNEPAVDGLPAAGAAHAEYSGLCDKLMIVHPGK
FCPPHFHQRKTESYEVVLGEMEVFYAPEPVTVGDDDVLSFSPMPEGSPWP
EGVALPAGREDSYAGLTSYVRLRAGDPKFVMHRKHLHAFRCPADSPVPLV
VREVSTYSHEPAAPLPQWRGLHDNTFVAEAANSGRLATAIA

Ligand information

• Ligand ID: WOO
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6-/m0/s1
• InChIKey: WQZGKKKJIJFFOK-RUTHBDMASA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.7.6: C([C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
  CACTVS 3.385: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.385: OC[C@@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: beta-L-allopyranose;
  beta-L-allose;
  L-allose;
  allose
• ZINC: ZINC000001529206
• PDB chain: 3ww4 Chain A Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ww4 Essentiality of tetramer formation of Cellulomonas parahominis L-ribose isomerase involved in novel L-ribose metabolic pathway.
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): S16 R23 P31
• Binding residue (residue number reindexed from 1): S15 R22 P30
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0016853 isomerase activity
• GO:0046872 metal ion binding

External links

• PDB: RCSB:3ww4, PDBe:3ww4, PDBj:3ww4
• PDBsum: 3ww4
• PubMed: 25661811
• UniProt: L0N3Y0