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Synthesis of a weak basic upa inhibitor and crystal structure of complex with upa

Analyse Synthesis of a weak basic upa inhibitor and crystal structure of complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4H42
Type: protein
Length: 247 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: 11E
Pockets: 1 · best druggability 0.45

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
U	Urokinase-type plasminogen activator (EC 3.4.21.73)	protein	247	11% helix, 38% strand	P00749

Ligands and binding sites

11E · N-[(2-amino-1,3-benzothiazol-6-yl)carbonyl]glycine · ligand · chains U
PG6 · 1-(2-methoxy-ethoxy)-2-{2-[2-(2-methoxy-ethoxy]-ethoxy}-ethane · additive · 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	161	0.45	0.76	36	11E

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

4H42 · Synthesis of a Weak Basic uPA Inhibitor and Crystal Structure of Complex with uPA · 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 4H42 · PDBe 4H42 · UniProt P00749

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