MolNFT v1 · #21829 · protein
Crystal structure of a complex between serratia marcescens metallo-protease and an inhibitor from erwinia chrysanthemi
1SMP · Serratia metallo proteinase: “Crystal structure of a complex between serratia marcescens metallo-protease and an inhibitor from erwinia…”. X-ray diffraction, 2 ligands (CA, ZN), 8 pockets (best druggability 0.50). MolNFT v1 #21829…
- PDB
- 1SMP
- Type
- protein
- Length
- 568 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serratia metallo proteinase; Erwinia chrysanthemi inhibitor
- EC
- 3.4.24.40
- UniProt
- P23694, P18958
- Ligands
- CA, ZN
- Pockets
- 8 · best druggability 0.50
Structure
x-ray diffraction · 2 distinct chains · 17% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serratia metallo proteinase (EC 3.4.24.40) | protein | 468 | 18% helix, 25% strand | P23694 |
| I | Erwinia chrysanthemi inhibitor | protein | 100 | 11% helix, 53% strand | P18958 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 139 | 0.50 | 0.80 | 18 | empty |
| 2 | 228 | 0.50 | 0.75 | 28 | empty |
| 3 | 124 | 0.48 | 0.79 | 18 | empty |
| 4 | 104 | 0.36 | 0.74 | 27 | empty |
| 5 | 88 | 0.32 | 0.73 | 20 | empty |
Interfaces
1 interface between chains.
- A–I · 953 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 1SMP · Crystal structure of a complex between serratia marcescens metallo-protease and an… · the same entry in another collection · chain A against A, TM-score 1.00
- P23694 · AlphaFold monomer V2.0 prediction for serralysin (P23694) · a predicted model of the same protein · chain A against A, TM-score 1.00
- P18958 · AlphaFold monomer V2.0 prediction for proteinase inhibitor (P18958) · a predicted model of the same protein · chain I against A, TM-score 0.98
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 P23694
- Every structure of UniProt P18958
- Elsewhere: RCSB PDB 1SMP · PDBe 1SMP · UniProt P23694 · UniProt P18958
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