MolNFT v1 · #19564 · protein
Amide receptor of the amidase operon of pseudomonas aeruginosa (amic) complexed with the negative regulator amir.
1QO0: “Amide receptor of the amidase operon of pseudomonas aeruginosa (amic) complexed with the negative regulator…”. X-ray diffraction, 1 ligand (BMD), 12 pockets (best druggability 0.80). MolNFT v1 #19564 on GenesisL1: 3D structure…
- PDB
- 1QO0
- Type
- protein
- Length
- 1,130 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Amic; Amir
- UniProt
- P27017, P10932
- Ligands
- BMD
- Pockets
- 12 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Amic | protein | 373 | 43% helix, 20% strand | P27017 |
| B | Amic | protein | 374 | 42% helix, 20% strand | P27017 |
| D | Amir | protein | 189 | 59% helix, 13% strand | P10932 |
| E | Amir | protein | 194 | 59% helix, 13% strand | P10932 |
Ligands and binding sites
- BMD · Butyramide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1029 | 0.80 | 0.82 | 108 | empty |
| 2 | 102 | 0.61 | 0.88 | 30 | empty |
| 3 | 185 | 0.53 | 0.78 | 25 | empty |
| 4 | 76 | 0.52 | 0.85 | 19 | empty |
| 5 | 135 | 0.47 | 0.78 | 26 | empty |
Interfaces
6 interfaces between chains.
- D–E · 2132 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 605 Ų buried · 5 hydrogen bonds · protein-protein
- B–E · 593 Ų buried · 6 hydrogen bonds · protein-protein
- A–E · 523 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 517 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 1QO0 · Amide receptor of the amidase operon of Pseudomonas aeruginosa (AmiC) complexed with the… · the same entry in another collection · chain E against E, TM-score 1.00
- P27017 · AlphaFold monomer V2.0 prediction for aliphatic amidase expression- regulating protein… · a predicted model of the same protein · chain A against A, TM-score 1.00
- P10932 · AlphaFold monomer V2.0 prediction for aliphatic amidase regulator (P10932) · a predicted model of the same protein · chain E against A, TM-score 0.93
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 P27017
- Every structure of UniProt P10932
- Elsewhere: RCSB PDB 1QO0 · PDBe 1QO0 · UniProt P27017 · UniProt P10932
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