MolNFT v1 · #146902 · protein
Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate- and BRD0059-bound form
6DWE: “Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate- and BRD0059-bound form”. X-ray diffraction, 2 ligands (HDJ, CS). MolNFT v1 #146902 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6DWE
- Type
- protein
- Length
- 2,601 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P9WFY1, P9WFX9
- Ligands
- HDJ, CS
Structure
x-ray diffraction · 7 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 249 | — | P9WFY1 |
| B | — | protein | 405 | — | P9WFX9 |
| G | — | protein | 248 | — | P9WFY1 |
| H | — | protein | 405 | — | P9WFX9 |
| E | — | protein | 246 | — | P9WFY1 |
| F, D | — | protein | 400 | — | P9WFX9 |
| C | — | protein | 248 | — | P9WFY1 |
Ligands and binding sites
- HDJ · (2R,3S,4R)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile · ligand · 4 copies · chains A, B, G, H, E, F, C, D
- CS · Cesium ion · metal · 9 copies · chains B, H, D, F
- FMT · Formic acid · additive · 33 copies · chains A, B, D, F, G, H, E, C
- MLI · Malonate ion · additive · 4 copies · chains A, G, E, C
- ACT · Acetate ion · additive · 3 copies · chains A, B, G, H
- MLA · Malonic acid · additive · 2 copies · chains H, F, D
- EDO · 1,2-ethanediol · additive · chains B, F
- PGE · Triethylene glycol · additive · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6DWE · Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate- and… · the same entry in another collection · chain A against A, TM-score 1.00
- P9WFY1 · AlphaFold monomer V2.0 prediction for tryptophan synthase alpha chain (P9WFY1) · a predicted model of the same protein · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P9WFY1
- Every structure of UniProt P9WFX9
- Elsewhere: RCSB PDB 6DWE · PDBe 6DWE · UniProt P9WFY1 · UniProt P9WFX9
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