MolNFT v1 · #152218 · protein

Structure of head fiber and inner core protein GP22 of native bacteriophage P68

6IAW · Major head protein: “Structure of head fiber and inner core protein GP22 of native bacteriophage P68”. Electron microscopy, 20 pockets (best druggability 0.82). MolNFT v1 #152218 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 6IAW
Type: protein
Length: 2,789 residues
Chains: 18
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Major head protein; Arstotzka protein; Head fiber; Inner core protein
UniProt: Q859I3, Q859I2
Pockets: 20 · best druggability 0.82

Structure

electron microscopy · 10 distinct chains · 22% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Major head protein	protein	393	23% helix, 22% strand	Q859I3
B, C, N, O	Major head protein	protein	386	24% helix, 22% strand	Q859I3
J, I, Q, S	Arstotzka protein	protein	55	0% helix, 2% strand	Q859I2
D	Arstotzka protein	protein	30	0% helix, 0% strand	Q859I2
E	Arstotzka protein	protein	54	6% helix, 2% strand	Q859I2
H, L, K	Head fiber	protein	55	25% helix, 15% strand	—
M	Major head protein	protein	338	26% helix, 25% strand	Q859I3
X	Inner core protein	protein	17	41% helix, 6% strand	—
Y	Inner core protein	protein	16	0% helix, 0% strand	—
Z	Inner core protein	protein	12	0% helix, 0% strand	—

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	403	0.82	0.91	71	empty
2	919	0.81	0.82	114	empty
3	962	0.80	0.81	94	empty
4	242	0.77	0.90	46	empty
5	679	0.76	0.81	71	empty

Interfaces

68 interfaces between chains.

A–C · 3090 Å² buried · 44 hydrogen bonds · protein-protein
M–O · 3051 Å² buried · 40 hydrogen bonds · protein-protein
B–O · 3034 Å² buried · 36 hydrogen bonds · protein-protein
C–N · 2984 Å² buried · 30 hydrogen bonds · protein-protein
A–B · 2982 Å² buried · 37 hydrogen bonds · protein-protein

Compared structures

6IAW · Structure of head fiber and inner core protein gp22 of native 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 6IAW · PDBe 6IAW · UniProt Q859I3 · UniProt Q859I2

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