MolNFT v1 · #149637 · protein

Crystal structure of a parallel seven-helix coiled coil cc-TYPE2-il- sg-L17E

6G69 · Cc-TYPE2-il-sg-L17E: “Crystal structure of a parallel seven-helix coiled coil cc-TYPE2-il- sg-L17E”. X-ray diffraction, 1 ligand (ACE), 2 pockets (best druggability 0.87). MolNFT v1 #149637 on GenesisL1: 3D structure, binding sites…

PDB: 6G69
Type: protein
Length: 414 residues
Chains: 14
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cc-TYPE2-il-sg-L17E
Ligands: ACE
Pockets: 2 · best druggability 0.87

Structure

x-ray diffraction · 3 distinct chains · 86% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, I, J, K, L, M	Cc-TYPE2-il-sg-L17E	protein	30	80% helix, 7% strand	—
H	Cc-TYPE2-il-sg-L17E	protein	29	90% helix, 0% strand	—
N	Cc-TYPE2-il-sg-L17E	protein	25	88% helix, 0% strand	—

Ligands and binding sites

ACE · Acetyl group · ligand · 5 copies · chains C, D, E, F, G, B, K, L
MPD · (4S)-2-methyl-2,4-pentanediol · additive · 4 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N
MRD · (4R)-2-methylpentane-2,4-diol · additive · chains H, I, J, K, L, M, N

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	476	0.87	0.92	50	MRD, MPD
2	504	0.86	0.91	53	MPD

Interfaces

29 interfaces between chains.

I–J · 865 Å² buried · 7 hydrogen bonds · protein-protein
K–L · 834 Å² buried · 6 hydrogen bonds · protein-protein
H–I · 831 Å² buried · 7 hydrogen bonds · protein-protein
C–D · 830 Å² buried · 4 hydrogen bonds · protein-protein
J–K · 822 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 covalent (covalent ligand).

Compared structures

6G69 · Crystal structure of a parallel seven-helix coiled coil CC-Type2-IL-Sg-L17E · 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 6G69 · PDBe 6G69

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