MolNFT v1 · #34371 · protein
Solution structure of matrilysin (mmp-7) complexed to constraint conformational sulfonamide inhibitor
2DDY: “Solution structure of matrilysin (mmp-7) complexed to constraint conformational sulfonamide inhibitor”. Solution nmr, 3 ligands (MDW, CA, ZN), 2 pockets (best druggability 0.54). MolNFT v1 #34371 on GenesisL1: 3D structure, binding…
- PDB
- 2DDY
- Type
- protein
- Length
- 173 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Matrilysin
- EC
- 3.4.24.23
- UniProt
- P09237
- Ligands
- MDW, CA, ZN
- Pockets
- 2 · best druggability 0.54
Structure
solution nmr · 1 distinct chain · 23% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Matrilysin (EC 3.4.24.23) | protein | 173 | 23% helix, 16% strand | P09237 |
Ligands and binding sites
- MDW · (1R)-N,6-dihydroxy-7-methoxy-2-[(4-methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide · ligand · chains A
- CA · Calcium ion · metal · 2 copies · chains A
- ZN · Zinc ion · metal · 2 copies · 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 | 146 | 0.54 | 0.81 | 23 | ZN, MDW |
| 2 | 126 | 0.50 | 0.80 | 20 | empty |
Compared structures
- 2DDY · Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational… · the same entry in another collection · chain A against A, TM-score 1.00
- P09237 · AlphaFold monomer V2.0 prediction for matrilysin (P09237) · a predicted model of the same protein · chain A against A, TM-score 0.85
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 P09237
- Elsewhere: RCSB PDB 2DDY · PDBe 2DDY · UniProt P09237
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