3KRJ: CFMS tyrosine kinase

cFMS tyrosine kinase in complex with 4-Cyano-1H-imidazole-2-carboxylic acid (2-cyclohex-1-enyl-4-piperidin-4-yl-phenyl)-amide. Determined by X-ray diffraction at 2.1 Å resolution. Released 1 Dec 2010.

Method: X-ray diffraction
Resolution: 2.1 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,579
Mol. weight: 38.5 kDa
Ligands: KRJ
Released: 1 Dec 2010

Explore 3KRJ in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3KRJ contains 20 α-helices and 14 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 20 helices, 14 β-strands

Element	Residues	Length	Sheet
β-strand	551-552	2	1
α-helix	566-568	3
α-helix	573-575	3
β-strand	576	1	2
α-helix	579-581	3
β-strand	582-590	9	2
β-strand	594-601	8	2
β-strand	611-618	8	2
α-helix	624-640	17
β-strand	646	1	3
β-strand	649-653	5	2
β-strand	660-664	5	2
β-strand	670	1	3
α-helix	671-676	6
α-helix	699-771	20
β-strand	774-775	2	1
α-helix	781-783	3
β-strand	784-787	4	3
α-helix	788-790	3
β-strand	791-794	4	3
α-helix	798-800	3
α-helix	803-805	3
β-strand	810-811	2	4
β-strand	816-817	2	4
α-helix	819-821	3
α-helix	824-828	5
α-helix	834-849	16
α-helix	853-854	2
α-helix	863-871	9
α-helix	875-878	4
α-helix	883-892	10
α-helix	897-899	3
α-helix	901-902	2
α-helix	903-912	10

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Macrophage colony-stimulating factor 1 receptor, Basic fibroblast growth factor receptor 1	A	protein	335	Homo sapiens	P07333 (AlphaFold model), P11362 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>3KRJ_1 Macrophage colony-stimulating factor 1 receptor, Basic fibroblast growth factor receptor 1 (chains A)
GVDYKYKQKPKYQVRWKIIESYEGNSYTFIDPTQLPYNEKWEFPRNNLQFGKTLGAGAFG
KVVEATAFGLGKEDAVLKVAVKMLKSTAHADEKEALMSELKIMSHLGQHENIVNLLGACT
HGGPVLVITEYCCYGDLLNFLRRKRPPGLEYSYNPSHNPEEQLSSRDLLHFSSQVAQGMA
FLASKNCIHRDVAARNVLLTNGHVAKIGDFGLARDIMNDSNYIVKGNARLPVKWMAPESI
FDCVYTVQSDVWSYGILLWEIFSLGLNPYPGILVNSKFYKLVKDGYQMAQPAFAPKNIYS
IMQACWALEPTHRPTFQQICSFLQEQAQEDRRERD

Ligands and cofactors

ID	Name	Formula	Copies
KRJ	4-cyano-N-(2-cyclohex-1-en-1-yl-4-piperidin-4-ylphenyl)-1H-imidazole-2-carboxam…	C22 H25 N5 O	1

Water and common crystallization additives (ACT) are not listed.

Primary citation

Optimization of a Potent Class of Arylamide Colony-Stimulating Factor-1 Receptor Inhibitors Leading to Anti-inflammatory Clinical Candidate 4-Cyano-N-[2-(1-cyclohexen-1-yl)-4-[1-[(dimethylamino)acetyl]-4-piperidinyl]phenyl]-1H-imidazole-2-carboxamide (JNJ-28312141). Illig, C.R., Manthey, C.L., Wall, M.J. et al. J Med Chem (2011) 54:7860-7883. DOI 10.1021/jm200900q · PubMed

Other PDB entries of the same protein (UniProt P07333 (AlphaFold model), which also has an AlphaFold model), best resolution first:

8JOT 1.69 Å, Crystal structure of CSF-1R kinase domain with sulfatinib
6T2W 1.7 Å, Crystal structure of the CSF1R kinase domain with a dihydropurinone inhibitor (compound 4)
2I1M 1.8 Å, cFMS tyrosine kinase (tie2 KID) in complex with an arylamide inhibitor
6IG8 1.8 Å, Crystal structure of CSF-1R kinase domain with a small molecular inhibitor, JTE-952
2I0Y 1.9 Å, cFMS tyrosine kinase (FGF KID) in complex with an arylamide inhibitor
8CGC 1.93 Å, Structure of CSF1R in complex with a pyrollopyrimidine (compound 23)
3DPK 1.95 Å, cFMS tyrosine kinase in complex with a pyridopyrimidinone inhibitor
3BEA 2.02 Å, cFMS tyrosine kinase (tie2 KID) in complex with a pyrimidinopyridone inhibitor
6N33 2.25 Å, Crystal structure of fms kinase domain with a small molecular inhibitor, PLX5622
8W1L 2.26 Å, Structure of CSF1R kinase domain in complex with Cpd 32
3KRL 2.4 Å, cFMS Tyrosine kinase in complex with 5-Cyano-furan-2-carboxylic acid…
3LCD 2.5 Å, Inhibitor Bound to A DFG-In structure of the Kinase Domain of CSF-1R

Browse structure collections

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