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The crystal structure of upain-1-W3A in complex with inactive upa (upa-S195A) at PH7.4

Analyse The crystal structure of upain-1-W3A in complex with inactive upa (upa-S195A)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4ZKS
Type: protein
Length: 258 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Urokinase-type plasminogen activator; Upain-1-W3A
EC: 3.4.21.73
UniProt: P00749
Pockets: 2 · best druggability 0.41

Structure

x-ray diffraction · 2 distinct chains · 10% helix, 37% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
U	Urokinase-type plasminogen activator (EC 3.4.21.73)	protein	246	11% helix, 39% strand	P00749
P	Upain-1-W3A	protein	12	0% helix, 0% strand	—

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	51	0.41	0.82	17	empty
2	130	0.39	0.74	18	empty

Interfaces

1 interface between chains.

U–P · 669 Å² buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

4ZKS · The crystal structure of upain-1-W3A in complex with inactive uPA (uPA-S195A) at pH7.4 · the same entry in another collection · chain U against U, TM-score 1.00

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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 4ZKS · PDBe 4ZKS · UniProt P00749

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