5TLQ

Model structure of the oxidized PaDsbA1 and 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine complex

Replaces:  2MBU

Summary for 5TLQ

• Entry DOI: 10.2210/pdb5tlq/pdb
• NMR Information: BMRB: 19414,30189
• Descriptor: Thiol:disulfide interchange protein DsbA, 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine (2 entities in total)
• Functional Keywords: oxidised padsba1, oxidoreductase, 3-((2-methylbenzyl)thio)-4h-1, 2, 4-triazol-4-amine, haddock docking
• Biological source: Pseudomonas aeruginosa
• Cellular location: Periplasm : P0C2B2
• Total number of polymer chains: 1
• Total formula weight: 21372.55

Authors

Mohanty, B.,Rimmer, K.A.,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.S. (deposition date: 2016-10-11, release date: 2017-04-12, Last modification date: 2023-06-14)

• 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; DOI: 10.1371/journal.pone.0173436

Experimental method

SOLUTION NMR