Structure of PDB 3ww1 Chain A Binding Site BS02

Receptor Information

>3ww1 Chain A (length=242) Species: 285079 (Cellulomonas parahominis)

TRTAISRREYDEWLSEAASLARALRYPVTPEMVNDSAGIVFGDDQYEAFA
HGLWSREPYEVMVILESLNEPAVDGLPAAGAAHAEYSGLCDKLMIVHPGK
FCPPHFHQRKTESYEVVLGEMEVFYAPEPVTVGDDDVLSFSPMPEGSPWP
EGVALPAGREDSYAGLTSYVRLRAGDPKFVMHRKHLHAFRCPADSPVPLV
VREVSTYSHEPTEAPLPQWRGLHDNTFVAEAANSGRLATAIA

Ligand information

• Ligand ID: 0MK
• InChI: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5-/m0/s1
• InChIKey: SRBFZHDQGSBBOR-FCAWWPLPSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: C1C(C(C(C(O1)O)O)O)O
  OpenEye OEToolkits 1.7.6: C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O
  CACTVS 3.385: O[CH]1CO[CH](O)[CH](O)[CH]1O
  ACDLabs 12.01: C1(O)C(O)C(O)C(CO1)O
  CACTVS 3.385: O[C@H]1CO[C@H](O)[C@@H](O)[C@H]1O
• Formula: C5 H10 O5
• Name: beta-L-ribopyranose;
  beta-L-ribose;
  L-ribose;
  ribose;
  L-ribopyranose
• ZINC: ZINC000004521829
• PDB chain: 3ww1 Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ww1 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): I65 K93 H106 E204 E211 R243
• Binding residue (residue number reindexed from 1): I64 K92 H105 E203 E210 R236
• Annotation score: 4

Gene Ontology

Molecular Function

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

External links

• PDB: RCSB:3ww1, PDBe:3ww1, PDBj:3ww1
• PDBsum: 3ww1
• PubMed: 25661811
• UniProt: L0N3Y0