MolNFT v1 · #21564 · protein

Crystal structure of selenosubtilisin at 2.0-ångströms resolution

1SEL: “Crystal structure of selenosubtilisin at 2.0-ångströms resolution”. X-ray diffraction, 1 ligand (CA), 2 pockets (best druggability 0.51). MolNFT v1 #21564 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1SEL
Type: protein
Length: 548 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Selenosubtilisin
UniProt: P00780
Ligands: CA
Pockets: 2 · best druggability 0.51

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Selenosubtilisin	protein	274	30% helix, 20% strand	P00780

Ligands and binding sites

CA · Calcium ion · metal · 4 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	280	0.51	0.74	31	empty
2	66	0.30	0.75	28	empty

Interfaces

1 interface between chains.

A–B · 70 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (nonstandard).

Compared structures

1SEL · Crystal structure of selenosubtilisin at 2.0-ångströms resolution · the same entry in another collection · chain A against A, TM-score 1.00
P00780 · AlphaFold monomer V2.0 prediction for subtilisin carlsberg (P00780) · 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 P00780
Elsewhere: RCSB PDB 1SEL · PDBe 1SEL · UniProt P00780

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