MolNFT v1 · #77996 · protein

Crystals structure of JAK2 with a 1-amino-5H-PYRIDO[4,3-B]INDOL-4- carboxamide inhibitor

3RVG · Tyrosine-protein kinase JAK2: “Crystals structure of JAK2 with a 1-amino-5H-PYRIDO[4,3-B]INDOL-4- carboxamide inhibitor”. X-ray diffraction, 1 ligand (17P), 1 pocket (best druggability 0.70). MolNFT v1 #77996 on GenesisL1: 3D…

PDB: 3RVG
Type: protein
Length: 287 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tyrosine-protein kinase JAK2
EC: 2.7.1.112, 2.7.10.2
UniProt: O60674
Ligands: 17P
Pockets: 1 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein kinase JAK2 (EC 2.7.1.112, 2.7.10.2)	protein	287	44% helix, 19% strand	O60674

Ligands and binding sites

17P · 1-(cyclohexylamino)-7-(1-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	342	0.70	0.83	45	17P

Modifications

Observed in the structure: 2 modified (phosphorylation).

Compared structures

3RVG · Crystals structure of Jak2 with a 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitor · 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 O60674
Elsewhere: RCSB PDB 3RVG · PDBe 3RVG · UniProt O60674

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