Crystal structure of Pseudomonas aeruginosa DsbA E82I in complex with MIPS-0000851 (3-[(2-METHYLBENZYL)SULFANYL]-4H-1,2,4-TRIAZOL-4-AMINE)

Summary for 5DCH

Related2MBU 4ZL7 4ZL8 4ZL9
DescriptorThiol:disulfide interchange protein DsbA, 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, GLYCEROL, ... (5 entities in total)
Functional Keywordsthioredoxin fold, oxidoreductase
Biological sourcePseudomonas aeruginosa
Total number of polymer chains1
Total molecular weight22135.42
McMahon, R.M.,Martin, J.L. (deposition date: 2015-08-24, release date: 2016-10-05, Last modification date: 2020-01-01)
Primary citation
Mohanty, B.,Rimmer, K.,McMahon, R.M.,Headey, S.J.,Vazirani, M.,Shouldice, S.R.,Coincon, M.,Tay, S.,Morton, C.J.,Simpson, J.S.,Martin, J.L.,Scanlon, M.J.
Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1.
PLoS ONE, 12:e0173436-e0173436, 2017
PubMed: 28346540 (PDB entries with the same primary citation)
DOI: 10.1371/journal.pone.0173436
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.13960 0.6% 1.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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PDB entries from 2020-10-21