Structure of PDB 1abr Chain B Binding Site BS01

Receptor Information
>1abr Chain B (length=267) Species: 3816 (Abrus precatorius) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVEKSKICSSRYEPTVRIGGRDGMCVDVYDNGYHNGNRIIMWKCKDRLEE
NQLWTLKSDKTIRSNGKCLTTYGYAPGSYVMIYDCTSAVAEATYWEIWDN
GTIINPKSALVLSAESSSMGGTLTVQTNEYLMRQGWRTGNNTSPFVTSIS
GYSDLCMQAQGSNVWMADCDSNKKEQQWALYTDGSIRSVQNTNNCLTSKD
HKQGSTILLMGCSNGWASQRWVFKNDGSIYSLYDDMVMDVKGSDPSLKQI
ILWPYTGKPNQIWLTLF
Ligand information
Ligand IDMAN
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-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain1abr Chain D Residue 5 [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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PDB1abr Crystal structure of abrin-a at 2.14 A.
Resolution2.14 Å
Binding residue
(original residue number in PDB)		R47 L48
Binding residue
(residue number reindexed from 1)		R47 L48
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.2.22: rRNA N-glycosylase.
External links
PDB RCSB:1abr, PDBe:1abr, PDBj:1abr
PDBsum1abr
PubMed7608980
UniProtP11140|ABRA_ABRPR Abrin-a

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