MolNFT v1 · #142806 · protein

Crystal structure of upa in complex with 3,5-BIS(AZANYL)-N- carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-YL)PYRAZINE-2-carboxamide

6AG3 · Urokinase-type plasminogen activator: “Crystal structure of upa in complex with 3,5-BIS(AZANYL)-N…”. X-ray diffraction, 1 ligand (9XC), 2 pockets (best druggability 0.39). MolNFT v1 #142806 on GenesisL1: 3D structure, binding sites…

PDB: 6AG3
Type: protein
Length: 245 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: 9XC
Pockets: 2 · best druggability 0.39

Structure

x-ray diffraction · 1 distinct chain · 9% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
U	Urokinase-type plasminogen activator (EC 3.4.21.73)	protein	245	9% helix, 38% strand	P00749

Ligands and binding sites

9XC · 3,5-bis(azanyl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide · ligand · chains U

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

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	81	0.39	0.78	19	9XC
2	53	0.25	0.73	16	empty

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

6AG3 · Crystal structure of uPA in complex with 3,5-bis(azanyl)-N-carbamimidoyl-6-(2,4-dimethoxyp… · 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 6AG3 · PDBe 6AG3 · UniProt P00749

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