MolNFT v1 · #11899 · protein
The crystal structure of aminodeoxychorismate synthase from formate grown crystals
1K0E · P-aminobenzoate synthase component I: “The crystal structure of aminodeoxychorismate synthase from formate grown crystals”. X-ray diffraction, 1 ligand (TRP), 7 pockets (best druggability 0.68). MolNFT v1 #11899 on GenesisL1: 3D…
- PDB
- 1K0E
- Type
- protein
- Length
- 851 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- P-aminobenzoate synthase component I
- EC
- 4.1.3.-
- UniProt
- P05041
- Ligands
- TRP
- Pockets
- 7 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | P-aminobenzoate synthase component I (EC 4.1.3.-) | protein | 437 | 26% helix, 33% strand | P05041 |
| B | P-aminobenzoate synthase component I (EC 4.1.3.-) | protein | 414 | 29% helix, 31% strand | P05041 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 189 | 0.68 | 0.86 | 31 | TRP |
| 2 | 170 | 0.66 | 0.86 | 33 | TRP |
| 3 | 300 | 0.58 | 0.77 | 34 | empty |
| 4 | 129 | 0.48 | 0.79 | 25 | empty |
| 5 | 117 | 0.43 | 0.77 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 382 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 1K0E · The crystal structure of aminodeoxychorismate synthase from formate grown crystals · the same entry in another collection · chain A against A, TM-score 1.00
- P05041 · AlphaFold monomer V2.0 prediction for aminodeoxychorismate synthase component 1 (P05041) · a predicted model of the same protein · chain B 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 P05041
- Elsewhere: RCSB PDB 1K0E · PDBe 1K0E · UniProt P05041
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