MolNFT v1 · #95345 · protein

The triple jelly roll fold and turret assembly in an archaeal virus

4IND · C381 turret protein: “The triple jelly roll fold and turret assembly in an archaeal virus”. X-ray diffraction, 1 ligand (2HP), 20 pockets (best druggability 0.80). MolNFT v1 #95345 on GenesisL1: 3D structure, binding sites and…

PDB: 4IND
Type: protein
Length: 7,540 residues
Chains: 20
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: C381 turret protein
UniProt: Q6Q0L3
Ligands: 2HP
Pockets: 20 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 2% helix, 58% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T	C381 turret protein	protein	377	2% helix, 58% strand	Q6Q0L3

Ligands and binding sites

2HP · Dihydrogenphosphate ion · ion · 60 copies · chains A, E, B, C, D, F, J, G, H, I, K, O, L, M, N, P, T, Q, R, S

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

Pockets

20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1029	0.80	0.81	102	empty
2	620	0.66	0.77	41	empty
3	620	0.66	0.77	42	empty
4	600	0.66	0.77	40	empty
5	567	0.66	0.77	37	empty

Interfaces

30 interfaces between chains.

P–Q · 2538 Å² buried · 60 hydrogen bonds · protein-protein
F–G · 2535 Å² buried · 55 hydrogen bonds · protein-protein
M–N · 2530 Å² buried · 58 hydrogen bonds · protein-protein
A–B · 2529 Å² buried · 57 hydrogen bonds · protein-protein
S–T · 2528 Å² buried · 53 hydrogen bonds · protein-protein

Compared structures

4IND · The Triple Jelly Roll Fold and Turret Assembly in an Archaeal Virus · 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
Every structure of UniProt Q6Q0L3
Elsewhere: RCSB PDB 4IND · PDBe 4IND · UniProt Q6Q0L3

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