MolNFT v1 · #143006 · protein
Engineered tryptophan synthase B-subunit from pyrococcus furiosus, PFTRPB4D11 with ser bound as E(AEX1)
6AMH · Tryptophan synthase beta chain 1: “Engineered tryptophan synthase B-subunit from pyrococcus furiosus, PFTRPB4D11 with ser bound as E(AEX1)”. X-ray diffraction, 2 ligands (PLS, NA), 13 pockets (best druggability 0.82). MolNFT v1…
- PDB
- 6AMH
- Type
- protein
- Length
- 1,549 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tryptophan synthase beta chain 1
- EC
- 4.2.1.20
- UniProt
- Q8U093
- Ligands
- PLS, NA
- Pockets
- 13 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 48% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tryptophan synthase beta chain 1 (EC 4.2.1.20) | protein | 388 | 47% helix, 22% strand | Q8U093 |
| B | Tryptophan synthase beta chain 1 (EC 4.2.1.20) | protein | 391 | 47% helix, 19% strand | Q8U093 |
| C, D | Tryptophan synthase beta chain 1 (EC 4.2.1.20) | protein | 385 | 48% helix, 21% strand | Q8U093 |
Ligands and binding sites
- PLS · [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine · ligand · 4 copies · chains A, B, C, D
- NA · Sodium ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 151 | 0.82 | 0.98 | 39 | PLS |
| 2 | 141 | 0.81 | 0.98 | 34 | PLS |
| 3 | 156 | 0.81 | 0.97 | 40 | PLS |
| 4 | 144 | 0.80 | 0.97 | 35 | PLS |
| 5 | 957 | 0.79 | 0.81 | 112 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1881 Ų buried · 18 hydrogen bonds · protein-protein
- C–D · 1802 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 198 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 184 Ų buried · 1 hydrogen bond · protein-protein
- B–D · 71 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6AMH · Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB4D11 with Ser… · the same entry in another collection · chain D against D, TM-score 1.00
- Q8U093 · AlphaFold monomer V2.0 prediction for tryptophan synthase beta chain 1 (Q8U093) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q8U093
- Elsewhere: RCSB PDB 6AMH · PDBe 6AMH · UniProt Q8U093
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