MolNFT v1 · #149633 · protein

Crystal structure of a parallel six-helix coiled coil cc-TYPE2-vv

6G65: “Crystal structure of a parallel six-helix coiled coil cc-TYPE2-vv”. X-ray diffraction, 2 ligands (ACE, NH2), 2 pockets (best druggability 0.69). MolNFT v1 #149633 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6G65
Type: protein
Length: 360 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cc-TYPE2-vv
Ligands: ACE, NH2
Pockets: 2 · best druggability 0.69

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-TYPE2-vv	protein	30	93% helix, 0% strand	—

Ligands and binding sites

ACE · Acetyl group · ligand · 12 copies · chains A, B, C, D, E, F, G, H, I, J, K, L
NH2 · Amino group · ion · 12 copies · chains A, D, B, E, C, F, G, J, H, K, I, L

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	593	0.69	0.78	60	NH2, ACE
2	674	0.69	0.77	64	ACE

Interfaces

24 interfaces between chains.

B–C · 778 Å² buried · 2 hydrogen bonds · protein-protein
J–K · 759 Å² buried · 4 hydrogen bonds · protein-protein
D–E · 757 Å² buried · 2 hydrogen bonds · protein-protein
K–L · 748 Å² buried · 2 hydrogen bonds · protein-protein
A–B · 744 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 11 covalent (covalent ligand).

Compared structures

6G65 · Crystal structure of a parallel six-helix coiled coil CC-Type2-VV · 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 6G65 · PDBe 6G65

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