MolNFT v1 · #11317 · protein
Crystal structure analysis of human macrophage elastase mmp- 12
1JIZ · Macrophage elastase mmp-12: “Crystal structure analysis of human macrophage elastase mmp- 12”. X-ray diffraction, 3 ligands (CGS, CA, ZN), 3 pockets (best druggability 0.54). MolNFT v1 #11317 on GenesisL1: 3D structure, binding…
- PDB
- 1JIZ
- Type
- protein
- Length
- 332 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Macrophage elastase mmp-12
- EC
- 3.4.24.65
- UniProt
- P39900
- Ligands
- CGS, CA, ZN
- Pockets
- 3 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 23% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Macrophage elastase mmp-12 (EC 3.4.24.65) | protein | 166 | 23% helix, 17% strand | P39900 |
Ligands and binding sites
- CGS · N-hydroxy-2(R)-[[(4-methoxyphenyl)sulfonyl](3-picolyl)amino]-3-methylbutanamide hydrochloride · ligand · 2 copies · chains A, 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 | 148 | 0.54 | 0.81 | 23 | CGS |
| 2 | 158 | 0.53 | 0.80 | 27 | ZN, CGS |
| 3 | 115 | 0.38 | 0.74 | 21 | empty |
Compared structures
- 1JIZ · Crystal Structure Analysis of human Macrophage Elastase MMP-12 · the same entry in another collection · chain A against A, TM-score 1.00
- P39900 · AlphaFold monomer V2.0 prediction for macrophage metalloelastase (P39900) · 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 P39900
- Elsewhere: RCSB PDB 1JIZ · PDBe 1JIZ · UniProt P39900
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