Research workbench

Bel beta-trefoil apo crystal form 4

Analyse Bel beta-trefoil apo crystal form 4 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4I4R
Type: protein
Length: 584 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bel-beta trefoil
Pockets: 4 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 8% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Bel-beta trefoil	protein	146	8% helix, 38% strand	—

Ligands and binding sites

TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 6 copies · chains A, B, C, D

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

Pockets

4 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	161	0.78	0.94	36	empty
2	794	0.74	0.79	83	empty
3	228	0.57	0.78	40	empty
4	66	0.35	0.77	19	empty

Interfaces

4 interfaces between chains.

A–B · 835 Å² buried · 15 hydrogen bonds · protein-protein
C–D · 829 Å² buried · 11 hydrogen bonds · protein-protein
B–C · 318 Å² buried · 2 hydrogen bonds · protein-protein
A–D · 266 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

4I4R · BEL beta-trefoil apo crystal form 4 · the same entry in another collection · 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
Elsewhere: RCSB PDB 4I4R · PDBe 4I4R

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.