MolNFT v1 · #158245 · protein

PIM1 in complex with CPD9 ((R)-5-amino-N-(3-(4-aminoazepan-1-yl)-1H- pyrazol-4-yl)-2-(2,6-DIFLUOROPHENYL)THIAZOLE-4-carboxamide)

6NO8 · SERINE/THREONINE-protein kinase pim-1: “PIM1 in complex with CPD9 ((R)-5-amino-N-(3-(4-aminoazepan-1-yl)-1H…”. X-ray diffraction, 2 ligands (KUY, PO4), 2 pockets (best druggability 0.61). MolNFT v1 #158245 on GenesisL1: 3D…

PDB: 6NO8
Type: protein
Length: 273 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SERINE/THREONINE-protein kinase pim-1
EC: 2.7.11.1
UniProt: P11309
Ligands: KUY, PO4
Pockets: 2 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	SERINE/THREONINE-protein kinase pim-1 (EC 2.7.11.1)	protein	273	40% helix, 23% strand	P11309

Ligands and binding sites

KUY · 5-amino-N-{5-[(4S)-4-aminoazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide · ligand · chains A
PO4 · Phosphate ion · ion · chains A

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

Pockets

2 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	231	0.61	0.80	25	KUY
2	118	0.50	0.81	23	empty

Compared structures

6NO8 · PIM1 in complex with Cpd9 ((R)-5-amino-N-(3-(4-aminoazepan-1-yl)-1H-pyrazol-4-yl)-2-(2,6-d… · 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 P11309
Elsewhere: RCSB PDB 6NO8 · PDBe 6NO8 · UniProt P11309

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