MolNFT v1 · #115899 · protein
Crystal structure of the catalytic domain of human MMP12 in complex with a carboxylate inhibitor related to RXP470
5CXA · Macrophage metalloelastase: “Crystal structure of the catalytic domain of human MMP12 in complex with a carboxylate inhibitor related to…”. X-ray diffraction, 3 ligands (55L, CA, ZN), 2 pockets (best druggability 0.55). MolNFT v1…
- PDB
- 5CXA
- Type
- protein
- Length
- 159 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Macrophage metalloelastase
- EC
- 3.4.24.65
- UniProt
- P39900
- Ligands
- 55L, CA, ZN
- Pockets
- 2 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 24% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Macrophage metalloelastase (EC 3.4.24.65) | protein | 159 | 24% helix, 17% strand | P39900 |
Ligands and binding sites
- 55L · (R)-4-(((S)-1-(((S)-1-amino-4-carboxy-1-oxobutan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-3-((3-(3'-chloro-[1,1'-biphenyl]-4-yl)isoxazol-5-yl)methyl)-4-oxobutanoate · ligand · chains A
- CA · Calcium ion · metal · 3 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 | 153 | 0.55 | 0.81 | 25 | 55L |
| 2 | 83 | 0.36 | 0.76 | 19 | empty |
Compared structures
- 5CXA · Crystal structure of the catalytic domain of Human MMP12 in complex with a carboxylate… · the same entry in another collection · 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 P39900
- Elsewhere: RCSB PDB 5CXA · PDBe 5CXA · UniProt P39900
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