MolNFT v1 · #19659 · protein
Neutrophil gelatinase associated lipocalin homodimer
1QQS: “Neutrophil gelatinase associated lipocalin homodimer”. X-ray diffraction, 3 ligands (DKA, NAG, MAN), 1 pocket (best druggability 0.51). MolNFT v1 #19659 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1QQS
- Type
- protein
- Length
- 174 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neutrophil gelatinase
- UniProt
- P80188
- Ligands
- DKA, NAG, MAN
- Pockets
- 1 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 15% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Neutrophil gelatinase | protein | 174 | 15% helix, 42% strand | P80188 |
Ligands and binding sites
- DKA · Decanoic acid · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
- MAN · alpha-D-mannopyranose · sugar
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 210 | 0.51 | 0.76 | 33 | DKA |
Modifications
Observed in the structure: 1 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 1QQS · Neutrophil gelatinase associated lipocalin homodimer · 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 P80188
- Elsewhere: RCSB PDB 1QQS · PDBe 1QQS · UniProt P80188
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