MolNFT v1 · #3153 · protein
X-ray structure of human stromelysin catalytic domain complexes with non-peptide inhibitors: implication for inhibitor selectivity
1CIZ · Protein (stromelysin-1): “X-ray structure of human stromelysin catalytic domain complexes with non-peptide inhibitors: implication for…”. X-ray diffraction, 4 ligands (DPS, CA, ZN), 2 pockets (best druggability 0.59). MolNFT v1…
- PDB
- 1CIZ
- Type
- protein
- Length
- 168 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (stromelysin-1)
- EC
- 3.4.24.17
- UniProt
- P08254
- Ligands
- DPS, CA, ZN, SO4
- Pockets
- 2 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (stromelysin-1) (EC 3.4.24.17) | protein | 168 | 26% helix, 17% strand | P08254 |
Ligands and binding sites
- DPS · 3-(1H-indol-3-yl)-2-[4-(4-phenyl-piperidin-1-yl)-benzenesulfonylamino]-propionic acid · ligand · chains A
- CA · Calcium ion · metal · 3 copies · chains A
- ZN · Zinc ion · metal · 2 copies · chains A
- SO4 · Sulfate ion · ion · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 190 | 0.59 | 0.81 | 32 | DPS |
| 2 | 53 | 0.36 | 0.79 | 13 | empty |
Compared structures
- 1CIZ · X-ray structure of human stromelysin catalytic domain complexes with non-peptide… · the same entry in another collection · chain A against A, TM-score 1.00
- P08254 · AlphaFold monomer V2.0 prediction for stromelysin-1 (P08254) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P08254
- Elsewhere: RCSB PDB 1CIZ · PDBe 1CIZ · UniProt P08254
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