MolNFT v1 · #145563 · protein

Cryoem structure of human enterovirus D68 full native virion (pH 7.2 and 4 degrees celsius)

6CRR · Viral protein 1: “Cryoem structure of human enterovirus D68 full native virion (pH 7.2 and 4 degrees celsius)”. Electron microscopy, 13 pockets (best druggability 0.58). MolNFT v1 #145563 on GenesisL1: 3D structure, binding sites…

PDB: 6CRR
Type: protein
Length: 803 residues
Chains: 4
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Viral protein 1; Viral protein 3; Viral protein 2; Viral protein 4
UniProt: A0A097BW12, A0A1I9KXX3, A0A191Z5D5
Pockets: 13 · best druggability 0.58

Structure

electron microscopy · 4 distinct chains · 9% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Viral protein 1	protein	288	8% helix, 31% strand	A0A097BW12
B	Viral protein 3	protein	247	7% helix, 32% strand	A0A097BW12
C	Viral protein 2	protein	238	10% helix, 37% strand	A0A1I9KXX3
D	Viral protein 4	protein	30	20% helix, 10% strand	A0A191Z5D5

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	169	0.58	0.82	35	empty
2	117	0.48	0.80	25	empty
3	124	0.48	0.79	26	empty
4	179	0.47	0.75	32	empty
5	128	0.45	0.77	22	empty

Interfaces

6 interfaces between chains.

A–B · 4781 Å² buried · 89 hydrogen bonds · protein-protein
A–C · 2127 Å² buried · 48 hydrogen bonds · protein-protein
B–C · 1858 Å² buried · 25 hydrogen bonds · protein-protein
A–D · 949 Å² buried · 13 hydrogen bonds · protein-protein
B–D · 877 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

6CRR · CryoEM structure of human enterovirus D68 full native virion (pH 7.2 and 4 degrees… · the same entry in another collection · chain B against B, 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 A0A097BW12
Every structure of UniProt A0A1I9KXX3
Every structure of UniProt A0A191Z5D5
Elsewhere: RCSB PDB 6CRR · PDBe 6CRR · UniProt A0A097BW12 · UniProt A0A1I9KXX3 · UniProt A0A191Z5D5

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