MolNFT v1 · #183122 · protein

A heptameric barrel state of a de novo coiled-coil assembly: cc-TYPE2- (MAID)4.

7NFH · Cc-TYPE2-(MAID)4: “A heptameric barrel state of a de novo coiled-coil assembly: cc-TYPE2- (MAID)4.”. X-ray diffraction, 2 ligands (ACE, NH2), 1 pocket (best druggability 0.85). MolNFT v1 #183122 on GenesisL1: 3D structure, binding…

PDB: 7NFH
Type: protein
Length: 210 residues
Chains: 7
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cc-TYPE2-(MAID)4
Ligands: ACE, NH2
Pockets: 1 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 90% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G	Cc-TYPE2-(MAID)4	protein	30	90% helix, 0% strand	—

Ligands and binding sites

ACE · Acetyl group · ligand · 7 copies · chains A, B, C, D, E, F, G
NH2 · Amino group · ion · chains D
MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 5 copies · chains A, D, F, B, E

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1152	0.85	0.84	49	MES

Interfaces

7 interfaces between chains.

E–G · 756 Å² buried · 1 hydrogen bond · protein-protein
A–E · 745 Å² buried · 1 hydrogen bond · protein-protein
D–F · 725 Å² buried · 0 hydrogen bonds · protein-protein
B–D · 722 Å² buried · 2 hydrogen bonds · protein-protein
A–B · 707 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 covalent (covalent ligand).

Compared structures

7NFH · A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(MaId)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 7NFH · PDBe 7NFH

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