MolNFT v1 · #10234 · protein
Pseudomonas aeruginosa exotoxin a, wild type
1IKQ: “Pseudomonas aeruginosa exotoxin a, wild type”. X-ray diffraction, 2 ligands (NA, CL), 7 pockets (best druggability 0.75). MolNFT v1 #10234 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1IKQ
- Type
- protein
- Length
- 599 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Exotoxin a
- EC
- 2.4.2.-
- UniProt
- P11439
- Ligands
- NA, CL
- Pockets
- 7 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Exotoxin a (EC 2.4.2.-) | protein | 599 | 31% helix, 26% strand | P11439 |
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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 573 | 0.75 | 0.82 | 57 | empty |
| 2 | 410 | 0.67 | 0.80 | 41 | empty |
| 3 | 362 | 0.65 | 0.80 | 44 | empty |
| 4 | 93 | 0.59 | 0.87 | 27 | empty |
| 5 | 133 | 0.47 | 0.78 | 34 | empty |
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
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 P11439
- Elsewhere: RCSB PDB 1IKQ · PDBe 1IKQ · UniProt P11439
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