MolNFT v1 · #152215 · protein

Icosahedrally averaged capsid of bacteriophage P68

6IAT · Major head protein: “Icosahedrally averaged capsid of bacteriophage P68”. Electron microscopy, 20 pockets (best druggability 0.75). MolNFT v1 #152215 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6IAT
Type: protein
Length: 1,746 residues
Chains: 8
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Major head protein; Arstotzka protein
UniProt: Q859I3, Q859I2
Pockets: 20 · best druggability 0.75

Structure

electron microscopy · 6 distinct chains · 21% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
C, B	Major head protein	protein	385	21% helix, 18% strand	Q859I3
A	Major head protein	protein	392	20% helix, 23% strand	Q859I3
D	Major head protein	protein	393	27% helix, 21% strand	Q859I3
E	Arstotzka protein	protein	54	0% helix, 0% strand	Q859I2
F, H	Arstotzka protein	protein	55	0% helix, 0% strand	Q859I2
G	Arstotzka protein	protein	27	19% helix, 0% strand	Q859I2

Pockets

20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	641	0.75	0.81	52	empty
2	655	0.72	0.79	53	empty
3	655	0.71	0.78	53	empty
4	627	0.69	0.77	61	empty
5	735	0.69	0.76	52	empty

Interfaces

17 interfaces between chains.

C–B · 3149 Å² buried · 49 hydrogen bonds · protein-protein
A–B · 3085 Å² buried · 38 hydrogen bonds · protein-protein
A–D · 2260 Å² buried · 32 hydrogen bonds · protein-protein
B–F · 1387 Å² buried · 17 hydrogen bonds · protein-protein
A–H · 1295 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

6IAT · Icosahedrally averaged capsid of bacteriophage P68 · 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 Q859I3
Every structure of UniProt Q859I2
Elsewhere: RCSB PDB 6IAT · PDBe 6IAT · UniProt Q859I3 · UniProt Q859I2

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