MolNFT v1 · #33437 · protein

Structure of ulilysin, a member of the pappalysin family of metzincin metalloendopeptidases.

2CKI: “Structure of ulilysin, a member of the pappalysin family of metzincin metalloendopeptidases.”. X-ray diffraction, 2 ligands (CA, ZN), 3 pockets (best druggability 0.85). MolNFT v1 #33437 on GenesisL1: 3D structure, binding sites and…

PDB: 2CKI
Type: protein
Length: 528 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ulilysin
UniProt: Q8TL28
Ligands: CA, ZN
Pockets: 3 · best druggability 0.85

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Ulilysin	protein	264	25% helix, 17% strand	Q8TL28

Ligands and binding sites

CA · Calcium ion · metal · 5 copies · chains A, B
ZN · Zinc ion · metal · 2 copies · chains A, B
GOL · Glycerol · additive · 6 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1124	0.85	0.86	69	CA
2	143	0.42	0.75	28	empty
3	103	0.39	0.76	26	empty

Interfaces

1 interface between chains.

A–B · 1274 Å² buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified, 2 disulfide (engineered, disulfide).

Compared structures

2CKI · Structure of Ulilysin, a member of the pappalysin family of metzincin… · 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 2CKI · PDBe 2CKI · UniProt Q8TL28

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