Structure of PDB 3rti Chain B Binding Site BS02

Receptor Information

>3rti Chain B (length=259) Species: 3988 (Ricinus communis)

ADVCMDPEPIVRIVGRNGLCVDVRDGRFHNGNAIQLWPCKSNTDANQLWT
LKRDNTIRSNGKCLTTYGYSPGVYVMIYDCNTAATDATRWQIWDNGTIIN
PRSSLVLAATSGNSGTTLTVQTNIYAVSQGWLPTNNTQPFVTTIVGLYGL
CLQANSGQVWIEDCSSEQQWALYADGSIRPQQNRDNCLTSDSNIRETVVK
ILSCGPASSGQRWMFKNDGTILNLYSGLVLDVRASDPSLKQIILYPLHGD
PNQIWLPLF

Ligand information

• Ligand ID: GAL
• 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-/m1/s1
• InChIKey: WQZGKKKJIJFFOK-FPRJBGLDSA-N
• SMILES:
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
  OpenEye OEToolkits 1.7.2: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
  OpenEye OEToolkits 1.7.2: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
• Formula: C6 H12 O6
• Name: beta-D-galactopyranose;
  beta-D-galactose;
  D-galactose;
  galactose
• ChEMBL: CHEMBL300520
• ZINC: ZINC000002597049
• PDB chain: 3rti Chain D Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3rti X-ray analysis of substrate analogs in the ricin A-chain active site.
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): E199 D234 R236 A237 H251
• Binding residue (residue number reindexed from 1): E196 D231 R233 A234 H248
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.2.22: rRNA N-glycosylase.

External links

• PDB: RCSB:3rti, PDBe:3rti, PDBj:3rti
• PDBsum: 3rti
• PubMed: 1433290
• UniProt: P02879|RICI_RICCO Ricin