MolNFT v1 · #103804 · protein

Alpha-lytic protease complexed with pro region

4PRO: “Alpha-lytic protease complexed with pro region”. X-ray diffraction, 5 pockets (best druggability 0.61). MolNFT v1 #103804 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4PRO
Type: protein
Length: 705 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alpha-lytic protease
UniProt: P00778
Pockets: 5 · best druggability 0.61

Structure

x-ray diffraction · 3 distinct chains · 29% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Alpha-lytic protease	protein	198	7% helix, 57% strand	P00778
C	Alpha-lytic protease	protein	154	45% helix, 28% strand	P00778
D	Alpha-lytic protease	protein	155	43% helix, 28% strand	P00778

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	403	0.61	0.77	57	empty
2	210	0.52	0.76	29	empty
3	235	0.48	0.74	34	empty
4	168	0.46	0.76	31	empty
5	72	0.31	0.74	13	empty

Interfaces

3 interfaces between chains.

A–C · 1648 Å² buried · 30 hydrogen bonds · protein-protein
B–D · 1420 Å² buried · 28 hydrogen bonds · protein-protein
A–B · 471 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

4PRO · Alpha-lytic protease complexed with pro region · the same entry in another collection · chain A against A, TM-score 1.00
P00778 · AlphaFold monomer V2.0 prediction for alpha-lytic protease (P00778) · 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 P00778
Elsewhere: RCSB PDB 4PRO · PDBe 4PRO · UniProt P00778

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