MolNFT v1 · #112170 · protein

Catalytic domain of SST2 F403A mutant

4ZD5 · Amsh-like protease SST2: “Catalytic domain of SST2 F403A mutant”. X-ray diffraction, 1 ligand (ZN), 3 pockets (best druggability 0.61). MolNFT v1 #112170 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4ZD5
Type: protein
Length: 370 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Amsh-like protease SST2
EC: 3.4.19.-
UniProt: Q9P371
Ligands: ZN
Pockets: 3 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 35% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Amsh-like protease SST2 (EC 3.4.19.-)	protein	185	25% helix, 35% strand	Q9P371

Ligands and binding sites

ZN · Zinc ion · metal · 4 copies · chains A, B
EDO · 1,2-ethanediol · additive · 5 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	335	0.61	0.78	48	EDO
2	328	0.59	0.77	34	empty
3	215	0.52	0.76	25	empty

Interfaces

1 interface between chains.

A–B · 695 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

4ZD5 · Catalytic domain of Sst2 F403A mutant · the same entry in another collection · chain A against A, TM-score 1.00
Q9P371 · AlphaFold monomer V2.0 prediction for amsh-like protease SST2 (Q9P371) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 Q9P371
Elsewhere: RCSB PDB 4ZD5 · PDBe 4ZD5 · UniProt Q9P371

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