MolNFT v1 · #48221 · protein

Crystal structure of PFPK7 in complex with an ATP-site inhibitor

2PMN · SER/THR protein kinase, putative: “Crystal structure of PFPK7 in complex with an ATP-site inhibitor”. X-ray diffraction, 1 ligand (K51), 4 pockets (best druggability 0.68). MolNFT v1 #48221 on GenesisL1: 3D structure, binding sites…

PDB: 2PMN
Type: protein
Length: 340 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SER/THR protein kinase, putative
UniProt: Q7YTF7
Ligands: K51
Pockets: 4 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
X	SER/THR protein kinase, putative	protein	340	32% helix, 22% strand	Q7YTF7

Ligands and binding sites

K51 · 4-(6-{[(1S)-1-(hydroxymethyl)-2-methylpropyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzonitrile · ligand · chains X

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	438	0.68	0.79	48	K51
2	199	0.43	0.73	24	empty
3	98	0.42	0.78	15	empty
4	90	0.39	0.76	19	empty

Compared structures

2PMN · Crystal structure of PfPK7 in complex with an ATP-site inhibitor · the same entry in another collection · chain X against X, 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 Q7YTF7
Elsewhere: RCSB PDB 2PMN · PDBe 2PMN · UniProt Q7YTF7

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