MolNFT v1 · #172145 · protein

Two states of a de novo hexameric coiled coil assembly cc-TYPE2- (LAIDGE)4

6ZT1 · Cc-TYPE2-(LAIDGE)4: “Two states of a de novo hexameric coiled coil assembly cc-TYPE2- (LAIDGE)4”. X-ray diffraction, 1 ligand (ACE), 5 pockets (best druggability 0.87). MolNFT v1 #172145 on GenesisL1: 3D structure, binding sites and…

PDB: 6ZT1
Type: protein
Length: 356 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cc-TYPE2-(LAIDGE)4
Ligands: ACE
Pockets: 5 · best druggability 0.87

Structure

x-ray diffraction · 3 distinct chains · 92% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, F, H, I, J	Cc-TYPE2-(LAIDGE)4	protein	30	93% helix, 0% strand	—
E, K, L	Cc-TYPE2-(LAIDGE)4	protein	29	90% helix, 0% strand	—
G	Cc-TYPE2-(LAIDGE)4	protein	29	93% helix, 0% strand	—

Ligands and binding sites

ACE · Acetyl group · ligand · 8 copies · chains A, F, B, C, D, E, J, K, L

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

Pockets

5 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	469	0.87	0.92	48	empty
2	179	0.51	0.78	27	empty
3	200	0.48	0.75	24	empty
4	165	0.47	0.76	19	empty
5	91	0.35	0.74	20	empty

Interfaces

19 interfaces between chains.

K–L · 836 Å² buried · 5 hydrogen bonds · protein-protein
H–I · 743 Å² buried · 4 hydrogen bonds · protein-protein
A–B · 703 Å² buried · 4 hydrogen bonds · protein-protein
B–C · 700 Å² buried · 1 hydrogen bond · protein-protein
J–K · 695 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified, 8 covalent (nonstandard, covalent ligand).

Compared structures

6ZT1 · Two states of a de novo hexameric coiled coil assembly CC-Type2-(LaIdGe)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 6ZT1 · PDBe 6ZT1

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