MolNFT v1 · #56824 · protein

Crystal structure of S324A-subtilisin

2ZRQ · Tk-subtilisin: “Crystal structure of S324A-subtilisin”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.43). MolNFT v1 #56824 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2ZRQ
Type: protein
Length: 318 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tk-subtilisin
EC: 3.4.21.62
UniProt: P58502
Ligands: CA
Pockets: 1 · best druggability 0.43

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tk-subtilisin (EC 3.4.21.62)	protein	318	29% helix, 19% strand	P58502

Ligands and binding sites

CA · Calcium ion · metal · 7 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	116	0.43	0.77	34	empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

2ZRQ · Crystal structure of S324A-subtilisin · the same entry in another collection · chain A against A, TM-score 1.00
P58502 · AlphaFold monomer V2.0 prediction for tk-subtilisin (P58502) · 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 P58502
Elsewhere: RCSB PDB 2ZRQ · PDBe 2ZRQ · UniProt P58502

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