5MT0

COMPLEMENT FACTOR D IN COMPLEX WITH A REVERSIBLE INDOLE CARBOXYLIC ACID BASED INHIBITOR

Summary for 5MT0

DescriptorComplement factor D, 5-fluoranyl-3-[[(1~{S},2~{S})-2-phenylcyclopropyl]carbonylamino]-1~{H}-indole-2-carboxylic acid, SULFATE ION, ... (4 entities in total)
Functional Keywordshydrolase
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight25173.52
Authors
Mac Sweeney, A.,Ostermann, N. (deposition date: 2017-01-06, release date: 2017-02-15, Last modification date: 2019-02-20)
Primary citation
Vulpetti, A.,Randl, S.,Rudisser, S.,Ostermann, N.,Erbel, P.,Mac Sweeney, A.,Zoller, T.,Salem, B.,Gerhartz, B.,Cumin, F.,Hommel, U.,Dalvit, C.,Lorthiois, E.,Maibaum, J.
Structure-Based Library Design and Fragment Screening for the Identification of Reversible Complement Factor D Protease Inhibitors.
J. Med. Chem., 60:1946-1958, 2017
PubMed: 28157311 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.6b01684
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.29 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.19460 1.1% 2.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution