Research workbench
Heterocycle-based mmp inhibitor with P2'SUBSTITUENTS
Analyse Heterocycle-based mmp inhibitor with P2'SUBSTITUENTS in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1G05
- Type
- protein
- Length
- 332 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Stromelysin-1 precursor
- EC
- 3.4.24.17
- UniProt
- P08254
- Ligands
- BBH, CA, ZN
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Stromelysin-1 precursor (EC 3.4.24.17) | protein | 166 | 25% helix, 18% strand | P08254 |
| B | Stromelysin-1 precursor (EC 3.4.24.17) | protein | 166 | 24% helix, 18% strand | P08254 |
Ligands and binding sites
- BBH · 1-benzyl-3-(4-methoxy-benzenesulfonyl)-6-oxo-hexahydro-pyrimidine-4-carboxylic acid hydroxyamide · ligand · chains B
- CA · Calcium ion · metal · 6 copies · chains A, B
- ZN · Zinc ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 425 | 0.69 | 0.81 | 42 | empty |
| 2 | 185 | 0.53 | 0.78 | 28 | ZN, BBH |
| 3 | 84 | 0.33 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 554 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
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 1G05 · PDBe 1G05 · UniProt P08254
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