MolNFT v1 · #21307 · protein

Porcine trypsin complexed with guanidine-3-propanol inhibitor

1S5S: “Porcine trypsin complexed with guanidine-3-propanol inhibitor”. X-ray diffraction, 2 ligands (PG3, CA), 1 pocket (best druggability 0.36). MolNFT v1 #21307 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1S5S
Type: protein
Length: 223 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Trypsin
EC: 3.4.21.4
UniProt: P00761
Ligands: PG3, CA
Pockets: 1 · best druggability 0.36

Structure

x-ray diffraction · 1 distinct chain · 10% helix, 35% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Trypsin (EC 3.4.21.4)	protein	223	10% helix, 35% strand	P00761

Ligands and binding sites

PG3 · Guanidine-3-propanol · ligand · chains A
CA · Calcium ion · metal · chains A
GOL · Glycerol · additive · 3 copies · chains A

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	51	0.36	0.79	19	empty

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

1S5S · Porcine trypsin complexed with guanidine-3-propanol inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
P00761 · AlphaFold monomer V2.0 prediction for trypsin (P00761) · a predicted model of the same protein · 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 P00761
Elsewhere: RCSB PDB 1S5S · PDBe 1S5S · UniProt P00761

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