MolNFT v1 · #69180 · protein

The crystal structures of 2-aminobenzothiazole-based inhibitors in complexes with urokinase-type plasminogen activator

3KID: “The crystal structures of 2-aminobenzothiazole-based inhibitors in complexes with urokinase-type plasminogen…”. X-ray diffraction, 1 ligand (2BS), 1 pocket (best druggability 0.37). MolNFT v1 #69180 on GenesisL1: 3D structure…

PDB: 3KID
Type: protein
Length: 238 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Urokinase-type plasminogen activator
EC: 3.4.21.73
UniProt: P00749
Ligands: 2BS
Pockets: 1 · best druggability 0.37

Structure

x-ray diffraction · 1 distinct chain · 12% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
U	Urokinase-type plasminogen activator (EC 3.4.21.73)	protein	238	12% helix, 39% strand	P00749

Ligands and binding sites

2BS · ethyl 2-amino-1,3-benzothiazole-6-carboxylate · ligand · chains U

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	85	0.37	0.77	26	2BS

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

3KID · The Crystal Structures of 2-Aminobenzothiazole-based Inhibitors in Complexes with… · the same entry in another collection · chain U against U, 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 P00749
Elsewhere: RCSB PDB 3KID · PDBe 3KID · UniProt P00749

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