MolNFT v1 · #70373 · protein

Human MMP12 in complex with non-zinc chelating inhibitor

3LIL · Macrophage metalloelastase: “Human MMP12 in complex with non-zinc chelating inhibitor”. X-ray diffraction, 4 ligands (EEA, HAE, CA), 1 pocket (best druggability 0.52). MolNFT v1 #70373 on GenesisL1: 3D structure, binding sites and…

PDB: 3LIL
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: EEA, HAE, CA, ZN
Pockets: 1 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Macrophage metalloelastase (EC 3.4.24.65)	protein	159	25% helix, 17% strand	P39900

Ligands and binding sites

EEA · N-{3-[3-(3'-chlorobiphenyl-4-yl)isoxazol-5-yl]propanoyl}-L-alpha-glutamyl-L-alpha-glutamyl-amide · ligand · chains A
HAE · Acetohydroxamic acid · 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

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	143	0.52	0.80	26	EEA, HAE

Compared structures

3LIL · Human MMP12 in complex with non-zinc chelating inhibitor · 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 3LIL · PDBe 3LIL · UniProt P39900

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.