Structure of PDB 3rti Chain B Binding Site BS01

Receptor Information
>3rti Chain B (length=259) Species: 3988 (Ricinus communis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADVCMDPEPIVRIVGRNGLCVDVRDGRFHNGNAIQLWPCKSNTDANQLWT
LKRDNTIRSNGKCLTTYGYSPGVYVMIYDCNTAATDATRWQIWDNGTIIN
PRSSLVLAATSGNSGTTLTVQTNIYAVSQGWLPTNNTQPFVTTIVGLYGL
CLQANSGQVWIEDCSSEQQWALYADGSIRPQQNRDNCLTSDSNIRETVVK
ILSCGPASSGQRWMFKNDGTILNLYSGLVLDVRASDPSLKQIILYPLHGD
PNQIWLPLF
Ligand information
Ligand IDGAL
InChIInChI=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
InChIKeyWQZGKKKJIJFFOK-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain3rti Chain C Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3rti X-ray analysis of substrate analogs in the ricin A-chain active site.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D22 D25 Q35 W37 K40 N46
Binding residue
(residue number reindexed from 1)		D22 D25 Q35 W37 K40 N46
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.2.22: rRNA N-glycosylase.
External links
PDB RCSB:3rti, PDBe:3rti, PDBj:3rti
PDBsum3rti
PubMed1433290
UniProtP02879|RICI_RICCO Ricin

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