4I0T: Spleen tyrosine kinase

Crystal structure of spleen tyrosine kinase complexed with 2-(5,6,7,8-Tetrahydro-imidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide. Determined by X-ray diffraction at 1.7 Å resolution. Released 30 Oct 2013.

Method: X-ray diffraction
Resolution: 1.7 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,344
Mol. weight: 34.22 kDa
Ligands: 1B6
Released: 30 Oct 2013

Explore 4I0T in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4I0T contains 17 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: 17 helices, 14 β-strands

Element	Residues	Length	Sheet
β-strand	364	1	1
α-helix	365-366	2
α-helix	367-369	3
β-strand	370-380	11	1
β-strand	383-391	9	1
β-strand	396-403	8	1
α-helix	412-425	14
β-strand	432	1	2
α-helix	433-434	2
β-strand	435-440	6	1
β-strand	444-449	6	1
β-strand	454-455	2	2
α-helix	456-462	7
α-helix	468-487	20
β-strand	490-491	2	3
α-helix	497-499	3
β-strand	500-504	5	2
β-strand	507-510	4	2
β-strand	517-518	2	3
α-helix	519-520	2
β-strand	525-527	3	4
α-helix	536-538	3
α-helix	541-546	6
β-strand	548-550	3	4
α-helix	551-566	16
α-helix	570-571	2
α-helix	578-586	9
α-helix	593-594	2
α-helix	599-608	10
α-helix	617-618	2
α-helix	619-638	20

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Tyrosine-protein kinase SYK	A	protein	291	Homo sapiens	P43405 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4I0T_1 Tyrosine-protein kinase SYK (chains A)
MALEEIRPKEVYLDRKLLTLEDKELGSGNFGTVKKGYYQMKKVVKTVAVKILKNEANDPA
LKDELLAEANVMQQLDNPYIVRMIGICEAESWMLVMEMAELGPLNKYLQQNRHVKDKNII
ELVHQVSMGMKYLEESNFVHRDLAARNVLLVTQHYAKISDFGLSKALRADENYYKAQTHG
KWPVKWYAPECINYYKFSSKSDVWSFGVLMWEAFSYGQKPYRGMKGSEVTAMLEKGERMG
CPAGCPREMYDLMNLCWTYDVENRPGFAAVELRLRNYYYDVVNEGHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
1B6	N-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]…	C18 H22 N6 O	1

Primary citation

Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors. Padilla, F., Bhagirath, N., Chen, S. et al. J Med Chem (2013) 56:1677-1692. DOI 10.1021/jm301720p · PubMed

Other PDB entries of the same protein (UniProt P43405 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4YJR 1.32 Å, SYK kinase domain in complex with inhibitor GTC000225
4YJQ 1.34 Å, SYK kinase domain in complex with inhibitor GTC000224
4FYO 1.4 Å, Crystal structure of spleen tyrosine kinase complexed with…
5LMA 1.43 Å, Human spleen tyrosine kinase kinase domain in complex with azanaphthyridine inhibitor
3BUW 1.45 Å, Crystal structure of c-Cbl-TKB domain complexed with its binding motif in Syk
6ZCS 1.47 Å, SYK Kinase domain in complex with azabenzimidazole inhibitor 3
5TIU 1.49 Å, Crystal structure of SYK kinase domain with inhibitor
8XQ1 1.5 Å, Crystal structure of spleen tyrosine kinase(SYK) in complex with SKI-G-1673
8BI2 1.51 Å, Syk kinase domain in complex with macrocyclic inhibitor 20a
4YJT 1.52 Å, The kinase domain of human spleen tyrosine (SYK) in complex with GTC000233
1XBB 1.57 Å, Crystal structure of the syk tyrosine kinase domain with Gleevec
4RX8 1.59 Å, SYK Catalytic Domain Complexed with a Potent Triazine Inhibitor2

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