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Structure of COI1-ASK1 in complex with coronatine and an incomplete JAZ1 degron

Analyse Structure of COI1-ASK1 in complex with coronatine and an incomplete JAZ1 degron in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3OGK
Type: protein
Length: 5,775 residues
Chains: 23
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SKP1-like protein 1A; Coronatine-insensitive protein 1; JAZ1 incomplete degron peptide
UniProt: Q39255, O04197, Q3ED96
Ligands: OGK, PO4
Pockets: 20 · best druggability 0.74

Structure

x-ray diffraction · 4 distinct chains · 38% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, E, G, I, K, M, O	SKP1-like protein 1A	protein	145	59% helix, 7% strand	Q39255
B, D, F, J, L, N, P	Coronatine-insensitive protein 1	protein	566	35% helix, 19% strand	O04197
Q, R, S, U, V, W, X	JAZ1 incomplete degron peptide	protein	13	62% helix, 0% strand	Q3ED96
H	Coronatine-insensitive protein 1	protein	562	34% helix, 19% strand	O04197

Ligands and binding sites

OGK · (1S,2S)-2-ethyl-1-({[(3aS,4S,6R,7aS)-6-ethyl-1-oxooctahydro-1H-inden-4-yl]carbonyl}amino)cyclopropanecarboxylic acid · ligand · 8 copies · chains B, Q, D, R, F, S, H, J, U, L, V, N, W, P, X
PO4 · Phosphate ion · ion · 32 copies · chains B, Q, D, R, F, S, H, J, U, L, V, N, W, P, X

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

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	689	0.74	0.80	75	OGK, PO4
2	856	0.73	0.78	82	PO4
3	829	0.73	0.78	81	PO4
4	620	0.73	0.80	66	empty
5	604	0.72	0.80	66	PO4

Interfaces

45 interfaces between chains.

M–N · 2001 Å² buried · 27 hydrogen bonds · protein-protein
C–D · 1952 Å² buried · 27 hydrogen bonds · protein-protein
O–P · 1945 Å² buried · 27 hydrogen bonds · protein-protein
K–L · 1932 Å² buried · 26 hydrogen bonds · protein-protein
E–F · 1931 Å² buried · 24 hydrogen bonds · protein-protein

Compared structures

3OGK · Structure of COI1-ASK1 in complex with coronatine and an incomplete JAZ1 degron · the same entry in another collection · chain H against H, 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 Q39255
Every structure of UniProt O04197
Every structure of UniProt Q3ED96
Elsewhere: RCSB PDB 3OGK · PDBe 3OGK · UniProt Q39255 · UniProt O04197 · UniProt Q3ED96

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