MolNFT v1 · #7559 · protein
Crystal structure analysis of pscp (pseudomonas serine-carboxyl proteinase) complexed with inhibitor pseudoiodotyrostatin (this enzyme renamed "sedolisin" in 2003)
1GA4: “Crystal structure analysis of pscp (pseudomonas serine-carboxyl proteinase) complexed with inhibitor…”. X-ray diffraction, 2 ligands (IVA, CA), 2 pockets (best druggability 0.41). MolNFT v1 #7559 on GenesisL1: 3D structure, binding…
- PDB
- 1GA4
- Type
- protein
- Length
- 371 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serine-carboxyl proteinase; Pseudoiodotyrostatin
- EC
- 3.4.23.37
- UniProt
- P42790
- Ligands
- IVA, CA
- Pockets
- 2 · best druggability 0.41
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serine-carboxyl proteinase (EC 3.4.23.37) | protein | 369 | 33% helix, 27% strand | P42790 |
| I | Pseudoiodotyrostatin | protein | 2 | 0% helix, 0% strand | — |
Ligands and binding sites
- IVA · Isovaleric acid · ligand · chains A, I
- CA · Calcium ion · metal · chains A
- GOL · Glycerol · additive · chains A
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 | 136 | 0.41 | 0.74 | 23 | empty |
| 2 | 70 | 0.31 | 0.74 | 16 | IVA |
Interfaces
1 interface between chains.
- A–I · 351 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified, 1 covalent, 1 disulfide (nonstandard, covalent ligand, disulfide).
Compared structures
- 1GA4 · Crystal structure analysis of pscp (pseudomonas serine-carboxyl proteinase) complexed… · 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 1GA4 · PDBe 1GA4 · UniProt P42790
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