MolNFT v2 · #151294 · protein
Petrobactin-binding engineered lipocalin without ligand
6GQZ · Neutrophil gelatinase-associated lipocalin: “Petrobactin-binding engineered lipocalin without ligand”. X-ray diffraction at 1.4, 3 pockets (best druggability 0.57). MolNFT v2 #151294 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6GQZ
- Type
- protein
- Length
- 348 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.4
- Source
- Homo sapiens
- Molecule
- Neutrophil gelatinase-associated lipocalin
- UniProt
- P80188
- Pockets
- 3 · best druggability 0.57
Structure
x-ray diffraction · resolution 1.4 · 1 distinct chain · 15% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Neutrophil gelatinase-associated lipocalin | protein | 174 | 15% helix, 43% strand | P80188 |
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 314 | 0.57 | 0.76 | 38 | empty |
| 2 | 278 | 0.54 | 0.76 | 43 | empty |
| 3 | 163 | 0.43 | 0.75 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 340 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6GQZ · Petrobactin-binding engineered lipocalin without ligand · the same entry in another collection · chain A against A, TM-score 1.00
- P80188 · AlphaFold monomer V2.0 prediction for neutrophil gelatinase- associated lipocalin (P80188) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P80188
- Elsewhere: RCSB PDB 6GQZ · PDBe 6GQZ · UniProt P80188
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