1MD2

CHOLERA TOXIN B-PENTAMER WITH DECAVALENT LIGAND BMSC-0013

Summary for 1MD2

Related3CHB 1LLR
DescriptorCHOLERA TOXIN B SUBUNIT, [5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-PENTYL]-CARBAMIC ACID METHYL ESTER, 3-ETHYLAMINO-4-METHYLAMINO-CYCLOBUTANE-1,2-DIONE, ... (5 entities in total)
Functional Keywordsmultivalent inhibitor toxin, toxin
Biological sourceVibrio cholerae
Total number of polymer chains5
Total molecular weight60366.87
Authors
Zhang, Z.,Merritt, E.A.,Ahn, M.,Roach, C.,Hol, W.G.J.,Fan, E. (deposition date: 2002-08-06, release date: 2002-12-11, Last modification date: 2017-10-11)
Primary citation
Zhang, Z.,Merritt, E.A.,Ahn, M.,Roach, C.,Hou, Z.,Verlinde, C.L.,Hol, W.G.,Fan, E.
Solution and crystallographic studies of branched multivalent ligands that inhibit the receptor-binding of cholera toxin.
J.Am.Chem.Soc., 124:12991-12998, 2002
PubMed: 12405825 (PDB entries with the same primary citation)
DOI: 10.1021/ja027584k
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.45 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.169702.5%3.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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