Structure of PDB 1hwo Chain B Binding Site BS01
Receptor Information
>1hwo Chain B (length=263) Species:
28503
(Sambucus ebulus) [
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GETCAIPAPFTRRIVGRDGLCVDVRNGYDTDGTPIQLWPCGTQRNQQWTF
YNDKTIRSMGKCMTANGLNSGSYIMITDCSTAAEDATKWEVLIDGSIINP
SSGLVMTAPSGASRTTLLLENNIHAASQGWTVSNDVQPIATLIVGYNEMC
LQANGENNNVWMEDCDVTSVQQQWALFDDRTIRVNNSRGLCVTSNGYVSK
DLIVIRKCQGLATQRWFFNSDGSVVNLKSTRVMDVKESDVSLQEVIIFPA
TGNPNQQWRTQVP
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
Software
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
DrugBank
ZINC
ZINC000002597049
PDB chain
1hwo Chain C Residue 2 [
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Receptor-Ligand Complex Structure
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PDB
1hwo
2.8-A crystal structure of a nontoxic type-II ribosome-inactivating protein, ebulin l.
Resolution
2.9 Å
Binding residue
(original residue number in PDB)
D24 V25 R26 N27 Q37 W39 N46
Binding residue
(residue number reindexed from 1)
D23 V24 R25 N26 Q36 W38 N45
Annotation score
4
Enzymatic activity
Enzyme Commision number
3.2.2.22
: rRNA N-glycosylase.
External links
PDB
RCSB:1hwo
,
PDBe:1hwo
,
PDBj:1hwo
PDBsum
1hwo
PubMed
11288182
UniProt
Q9AVR2
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