MolNFT v1 · #9605 · protein
Structure of the cooperative allosteric anthranilate synthase from salmonella typhimurium
1I1Q · Anthranilate synthase component I: “Structure of the cooperative allosteric anthranilate synthase from salmonella typhimurium”. X-ray diffraction, 1 ligand (TRP), 9 pockets (best druggability 0.76). MolNFT v1 #9605 on GenesisL1: 3D…
- PDB
- 1I1Q
- Type
- protein
- Length
- 698 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Anthranilate synthase component I; Anthranilate synthase component II
- EC
- 4.1.3.27
- UniProt
- P00898, P00905
- Ligands
- TRP
- Pockets
- 9 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Anthranilate synthase component I (EC 4.1.3.27) | protein | 512 | 32% helix, 31% strand | P00898 |
| B | Anthranilate synthase component II (EC 4.1.3.27) | protein | 186 | 28% helix, 28% strand | P00905 |
Ligands and binding sites
- TRP · Tryptophan · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 581 | 0.76 | 0.82 | 56 | empty |
| 2 | 77 | 0.72 | 0.96 | 25 | empty |
| 3 | 242 | 0.61 | 0.81 | 33 | TRP |
| 4 | 272 | 0.60 | 0.79 | 47 | empty |
| 5 | 197 | 0.59 | 0.81 | 38 | empty |
Interfaces
1 interface between chains.
- A–B · 1522 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 1I1Q · Structure of the cooperative allosteric anthranilate synthase from salmonella typhimurium · the same entry in another collection · chain A against A, TM-score 1.00
- P00905 · AlphaFold monomer V2.0 prediction for bifunctional protein trpgd (P00905) · a predicted model of the same protein · chain B against A, TM-score 0.99
- P00898 · AlphaFold monomer V2.0 prediction for anthranilate synthase component 1 (P00898) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P00898
- Every structure of UniProt P00905
- Elsewhere: RCSB PDB 1I1Q · PDBe 1I1Q · UniProt P00898 · UniProt P00905
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