MolNFT v1 · #47420 · protein
Human mmp-12 in complex with two peptides pqg and iag
2OXZ · Macrophage metalloelastase: “Human mmp-12 in complex with two peptides pqg and iag”. X-ray diffraction, 2 ligands (CA, ZN), 1 pocket (best druggability 0.51). MolNFT v1 #47420 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2OXZ
- Type
- protein
- Length
- 163 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Macrophage metalloelastase; Pro-gln-gly peptide; Ile-ala-gly peptide
- EC
- 3.4.24.65
- UniProt
- P39900
- Ligands
- CA, ZN
- Pockets
- 1 · best druggability 0.51
Structure
x-ray diffraction · 3 distinct chains · 24% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Macrophage metalloelastase (EC 3.4.24.65) | protein | 158 | 25% helix, 18% strand | P39900 |
| Y | Pro-gln-gly peptide | protein | 2 | 0% helix, 0% strand | — |
| X | Ile-ala-gly peptide | protein | 3 | 0% helix, 33% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 74 | 0.51 | 0.84 | 19 | empty |
Interfaces
3 interfaces between chains.
- A–X · 283 Ų buried · 5 hydrogen bonds · protein-protein
- A–Y · 177 Ų buried · 3 hydrogen bonds · protein-protein
- Y–X · 46 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2OXZ · Human MMP-12 in complex with two peptides PQG and IAG · 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 2OXZ · PDBe 2OXZ · UniProt P39900
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