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TRP-cage cyclo-TC1 - monoclinic crystal form

Analyse TRP-cage cyclo-TC1 - monoclinic crystal form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3UC7
Type: protein
Length: 132 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cyclo-TC1
Ligands: CL
Pockets: 3 · best druggability 0.33

Structure

x-ray diffraction · 1 distinct chain · 55% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F	Cyclo-TC1	protein	22	55% helix, 0% strand	—

Ligands and binding sites

CL · Chloride ion · ion · 2 copies · chains B, D, F

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

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	74	0.33	0.75	17	empty
2	59	0.29	0.74	16	empty
3	50	0.28	0.76	19	empty

Interfaces

12 interfaces between chains.

E–F · 215 Å² buried · 2 hydrogen bonds · protein-protein
A–B · 203 Å² buried · 2 hydrogen bonds · protein-protein
D–E · 200 Å² buried · 2 hydrogen bonds · protein-protein
B–C · 199 Å² buried · 2 hydrogen bonds · protein-protein
A–C · 198 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

3UC7 · Trp-cage cyclo-TC1 - monoclinic crystal form · 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 3UC7 · PDBe 3UC7

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