MolNFT v1 · #161167 · protein

Crystal structure of a cc-hex mutant that forms an antiparallel four- helix coiled coil cc-hex*-ll-kgeb

6Q5R: “Crystal structure of a cc-hex mutant that forms an antiparallel four- helix coiled coil cc-hex*-ll-kgeb”. X-ray diffraction, 2 ligands (ACE, NH2), 5 pockets (best druggability 0.70). MolNFT v1 #161167 on GenesisL1: 3D structure…

PDB: 6Q5R
Type: protein
Length: 360 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cc-hex*-ll-kgeb
Ligands: ACE, NH2
Pockets: 5 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 93% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, H, I, J, K, L	Cc-hex*-ll-kgeb	protein	30	93% helix, 0% strand	—

Ligands and binding sites

ACE · Acetyl group · ligand · 4 copies · chains A, D, E, H, I, L, J, K
NH2 · Amino group · ion · 3 copies · chains C, D, K
GOL · Glycerol · additive · 2 copies · chains B, C, L, F, H

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

Pockets

5 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	59	0.70	0.98	18	empty
2	143	0.43	0.75	26	empty
3	112	0.41	0.76	21	empty
4	133	0.40	0.74	20	empty
5	66	0.31	0.74	13	empty

Interfaces

31 interfaces between chains.

A–D · 803 Å² buried · 7 hydrogen bonds · protein-protein
F–G · 792 Å² buried · 7 hydrogen bonds · protein-protein
I–L · 788 Å² buried · 5 hydrogen bonds · protein-protein
E–H · 787 Å² buried · 9 hydrogen bonds · protein-protein
B–C · 759 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 covalent (covalent ligand).

Compared structures

6Q5R · Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil… · 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 6Q5R · PDBe 6Q5R

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