MolNFT v1 · #168266 · protein
Crystal structure of arabidopsis thaliana isochorismoyl-glutamate a pyruvoyl-glutamate lyase in complex with (2-(3-carboxyphenoxy) acetyl)-L-glutamic acid
6WAO · Protein enhanced pseudomonas susceptibility 1: “Crystal structure of arabidopsis thaliana isochorismoyl-glutamate a pyruvoyl-glutamate lyase in complex with…”. X-ray diffraction, 1 ligand (TQG), 9 pockets (best druggability 0.86).…
- PDB
- 6WAO
- Type
- protein
- Length
- 837 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein enhanced pseudomonas susceptibility 1
- EC
- 2.3.1.-
- UniProt
- Q9FH97
- Ligands
- TQG
- Pockets
- 9 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein enhanced pseudomonas susceptibility 1 (EC 2.3.1.-) | protein | 431 | 31% helix, 26% strand | Q9FH97 |
| B | Protein enhanced pseudomonas susceptibility 1 (EC 2.3.1.-) | protein | 406 | 33% helix, 27% strand | Q9FH97 |
Ligands and binding sites
- TQG · N-[(3-carboxyphenoxy)acetyl]-L-glutamic acid · ligand · 2 copies · chains A, B
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 | 485 | 0.86 | 0.93 | 41 | empty |
| 2 | 812 | 0.80 | 0.84 | 81 | TQG |
| 3 | 766 | 0.76 | 0.80 | 73 | TQG |
| 4 | 512 | 0.68 | 0.78 | 67 | empty |
| 5 | 65 | 0.62 | 0.92 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 943 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 6WAO · Crystal structure of Arabidopsis thaliana isochorismoyl-glutamate A pyruvoyl-glutamate… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9FH97 · AlphaFold monomer V2.0 prediction for protein enhanced pseudomonas susceptibility 1… · 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 Q9FH97
- Elsewhere: RCSB PDB 6WAO · PDBe 6WAO · UniProt Q9FH97
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