MolNFT v1 · #154051 · protein

Crystal structure of UPA_H99Y in complex with 3-azanyl-5-(azepan-1- yl)-N-carbamimidoyl-6-(furan-2-YL)PYRAZINE-2-carboxamide

6JYQ · Urokinase-type plasminogen activator: “Crystal structure of UPA_H99Y in complex with 3-azanyl-5-(azepan-1…”. X-ray diffraction, 2 ligands (EAU, SO4), 1 pocket (best druggability 0.41). MolNFT v1 #154051 on GenesisL1: 3D structure…

PDB: 6JYQ
Type: protein
Length: 246 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: EAU, SO4
Pockets: 1 · best druggability 0.41

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 39% 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

Ligands and binding sites

EAU · 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide · ligand · chains U
SO4 · Sulfate ion · ion · 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	87	0.41	0.79	21	EAU

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

6JYQ · Crystal structure of uPA_H99Y in complex with 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(… · 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 6JYQ · PDBe 6JYQ · UniProt P00749

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