MolNFT v1 · #15999 · protein
Pseudomonas sedolisin (serine-carboxyl proteinase) complexed with two molecules of pseudo-iodotyrostatin
1NLU: “Pseudomonas sedolisin (serine-carboxyl proteinase) complexed with two molecules of pseudo-iodotyrostatin”. X-ray diffraction, 2 ligands (IVA, CA), 2 pockets (best druggability 0.42). MolNFT v1 #15999 on GenesisL1: 3D structure…
- PDB
- 1NLU
- Type
- protein
- Length
- 372 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sedolisin; Pseudo-iodotyrostatin
- EC
- 3.4.21.100
- UniProt
- P42790
- Ligands
- IVA, CA
- Pockets
- 2 · best druggability 0.42
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sedolisin (EC 3.4.21.100) | protein | 368 | 33% helix, 27% strand | P42790 |
| B, C | Pseudo-iodotyrostatin | protein | 2 | 0% helix, 0% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 85 | 0.42 | 0.79 | 16 | IVA |
| 2 | 71 | 0.33 | 0.75 | 14 | IVA |
Interfaces
3 interfaces between chains.
- A–B · 354 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 305 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 11 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified, 2 covalent, 1 disulfide (nonstandard, covalent ligand, disulfide).
Compared structures
- 1NLU · Pseudomonas sedolisin (serine-carboxyl proteinase) complexed with two molecules of… · the same entry in another collection · chain A against A, TM-score 1.00
- P42790 · AlphaFold monomer V2.0 prediction for pseudomonalisin (P42790) · a predicted model of the same protein · 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 P42790
- Elsewhere: RCSB PDB 1NLU · PDBe 1NLU · UniProt P42790
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