Research workbench

ROP18 kinase domain in complex with AMP-pnp and sucrose

Analyse ROP18 kinase domain in complex with AMP-pnp and sucrose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4JRN
Type: protein
Length: 349 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Rhoptry kinase family protein
UniProt: Q2PAY2
Ligands: ANP, GLC, FRU, MG
Pockets: 4 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Rhoptry kinase family protein	protein	349	38% helix, 23% strand	Q2PAY2

Ligands and binding sites

ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
GLC · alpha-D-glucopyranose · sugar · chains A
FRU · beta-D-fructofuranose · sugar · chains A
MG · Magnesium ion · metal · 2 copies · chains A

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

Pockets

4 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	508	0.69	0.79	50	ANP, MG
2	66	0.36	0.77	18	empty
3	74	0.34	0.76	20	empty
4	62	0.26	0.72	18	empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

4JRN · ROP18 kinase domain in complex with AMP-PNP and sucrose · 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 Q2PAY2
Elsewhere: RCSB PDB 4JRN · PDBe 4JRN · UniProt Q2PAY2

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.