MolNFT v1 · #119235 · protein

Procathepsin B S9 from trypanosoma congolense

5FPW · Pro cathepsin B S9: “Procathepsin B S9 from trypanosoma congolense”. X-ray diffraction, 8 pockets (best druggability 0.73). MolNFT v1 #119235 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5FPW
Type: protein
Length: 877 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pro cathepsin B S9
EC: 3.4.22.1
UniProt: B2C331
Pockets: 8 · best druggability 0.73

Structure

x-ray diffraction · 3 distinct chains · 30% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pro cathepsin B S9 (EC 3.4.22.1)	protein	292	30% helix, 24% strand	B2C331
B	Pro cathepsin B S9 (EC 3.4.22.1)	protein	293	30% helix, 24% strand	B2C331
C	Pro cathepsin B S9 (EC 3.4.22.1)	protein	292	29% helix, 25% strand	B2C331

Pockets

8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	674	0.73	0.80	79	empty
2	133	0.55	0.82	19	empty
3	170	0.54	0.80	24	empty
4	140	0.52	0.80	19	empty
5	150	0.50	0.78	17	empty

Interfaces

2 interfaces between chains.

A–C · 674 Å² buried · 5 hydrogen bonds · protein-protein
B–C · 112 Å² buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 15 disulfide (disulfide).

Compared structures

5FPW · proCathepsin B S9 from Trypanosoma congolense · the same entry in another collection · chain A against A, 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 B2C331
Elsewhere: RCSB PDB 5FPW · PDBe 5FPW · UniProt B2C331

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