MolNFT v1 · #70780 · protein

Structure of ulilysin mutant M290C

3LUN: “Structure of ulilysin mutant M290C”. X-ray diffraction, 2 ligands (CA, ZN), 4 pockets (best druggability 0.85). MolNFT v1 #70780 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3LUN
Type: protein
Length: 520 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ulilysin
EC: 3.4.24.-
UniProt: Q8TL28
Ligands: CA, ZN
Pockets: 4 · best druggability 0.85

Structure

x-ray diffraction · 2 distinct chains · 26% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ulilysin (EC 3.4.24.-)	protein	259	25% helix, 18% strand	Q8TL28
B	Ulilysin (EC 3.4.24.-)	protein	261	26% helix, 18% strand	Q8TL28

Ligands and binding sites

CA · Calcium ion · metal · 6 copies · chains A, B
ZN · Zinc ion · metal · 2 copies · chains A, B
GOL · Glycerol · additive · 4 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1087	0.85	0.86	73	CA
2	83	0.38	0.77	18	empty
3	63	0.32	0.76	16	CA
4	55	0.27	0.74	16	empty

Interfaces

1 interface between chains.

A–B · 1257 Å² buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

3LUN · Structure of ulilysin mutant M290C · the same entry in another collection · chain A against A, TM-score 1.00
Q8TL28 · AlphaFold monomer V2.0 prediction for ulilysin (Q8TL28) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 Q8TL28
Elsewhere: RCSB PDB 3LUN · PDBe 3LUN · UniProt Q8TL28

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