MolNFT v1 · #22069 · protein

Calcium-independent subtilisin by design

1SUB · Subtilisin bpn' crb-S3: “Calcium-independent subtilisin by design”. X-ray diffraction, 3 ligands (ACN, CA, K), 1 pocket (best druggability 0.40). MolNFT v1 #22069 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1SUB
Type: protein
Length: 275 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Subtilisin bpn' crb-S3
EC: 3.4.21.62
UniProt: P00782
Ligands: ACN, CA, K
Pockets: 1 · best druggability 0.40

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Subtilisin bpn' crb-S3 (EC 3.4.21.62)	protein	275	30% helix, 20% strand	P00782

Ligands and binding sites

ACN · Acetone · ligand · chains A
CA · Calcium ion · metal · chains A
K · Potassium ion · metal · 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	90	0.40	0.77	24	empty

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

1SUB · Calcium-independent subtilisin by design · the same entry in another collection · chain A against A, TM-score 1.00
P00782 · AlphaFold monomer V2.0 prediction for subtilisin bpn' (P00782) · 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 P00782
Elsewhere: RCSB PDB 1SUB · PDBe 1SUB · UniProt P00782

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