6XE3: Salmonella typhimurium Tryptophan Synthase beta-S377A mutant in complex with inhibitor F9 at the enzyme alpha-site, cesium ion at the metal coordination site and carbanion III E(C3) at the enzyme beta-site

PDB ID: 6XE3Download
MMDB ID: 199543
PDB Deposition Date: 2020/6/11
Updated in MMDB: 2023/10
Experimental Method:
x-ray diffraction
Resolution: 1.55  Å
Source Organism:
Similar Structures:
Biological Unit for 6XE3: dimeric; determined by author and by software (PISA)
Molecular Components in 6XE3
Label Count Molecule
Proteins (2 molecules)
1
Tryptophan Synthase Alpha Chain
(Gene symbol: trpA)
Molecule annotation
1
Tryptophan Synthase Beta Chain
(Gene symbol: trpB)
Molecule annotation
Chemicals and Non-standard biopolymers (43 molecules)
1
1
2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE
2
8
1,2-ETHANEDIOL1,2-ETHANEDIOL
3
14
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
4
4
CESIUM IONCESIUM ION
5
15
CHLORIDE IONCHLORIDE ION
6
1
(2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid(2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303