MolNFT v1 · #128026 · protein
Crystal structure of the siderophore receptor piud from pseudomonas aeruginosa
5NEC · Tonb-dependent siderophore receptor: “Crystal structure of the siderophore receptor piud from pseudomonas aeruginosa”. X-ray diffraction, 18 pockets (best druggability 0.87). MolNFT v1 #128026 on GenesisL1: 3D structure, binding…
- PDB
- 5NEC
- Type
- protein
- Length
- 1,283 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tonb-dependent siderophore receptor
- UniProt
- V6ALN4
- Pockets
- 18 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 3% helix, 59% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tonb-dependent siderophore receptor | protein | 637 | 3% helix, 59% strand | V6ALN4 |
| B | Tonb-dependent siderophore receptor | protein | 646 | 3% helix, 59% strand | V6ALN4 |
Ligands and binding sites
- C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 638 | 0.87 | 0.91 | 78 | empty |
| 2 | 648 | 0.86 | 0.91 | 79 | empty |
| 3 | 742 | 0.79 | 0.83 | 97 | empty |
| 4 | 491 | 0.77 | 0.85 | 59 | empty |
| 5 | 499 | 0.77 | 0.85 | 58 | empty |
Interfaces
1 interface between chains.
- A–B · 1157 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 5NEC · Crystal structure of the siderophore receptor PiuD from Pseudomonas aeruginosa · the same entry in another collection · chain A against A, TM-score 1.00
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 V6ALN4
- Elsewhere: RCSB PDB 5NEC · PDBe 5NEC · UniProt V6ALN4
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