1O44: Sh2

Crystal structure of sh2 in complex with ru85052. Determined by X-ray diffraction at 1.7 Å resolution. Released 17 Feb 2004.

Method: X-ray diffraction
Resolution: 1.7 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,045
Mol. weight: 13 kDa
Ligands: 852
Released: 17 Feb 2004

Explore 1O44 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1O44 contains 4 α-helices and 8 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: 4 helices, 8 β-strands

Element	Residues	Length	Sheet
α-helix	2-4	3
β-strand	8-10	3	1
α-helix	14-21	8
β-strand	31-35	5	1
β-strand	43-51	9	1
β-strand	55-63	9	1
β-strand	64-65	2	2
β-strand	71-72	2	2
β-strand	78-79	2	2
α-helix	82-89	8
β-strand	103	1	1
α-helix	104-105	2

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Proto-oncogene tyrosine-protein kinase src	A	protein	108	Homo sapiens	P12931 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>1O44_1 PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC (chains A)
SIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETTKGAYCLSVSDFDNAKGLNVKH
YKIRKLDSGGFYITSRTQFNSLQQLVAYYSKHADGLCHRLTTVCPTSK

Ligands and cofactors

ID	Name	Formula	Copies
852	2-{4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]…	C34 H35 N3 O9	1

Primary citation

Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. Lange, G., Lesuisse, D., Deprez, P. et al. J Med Chem (2003) 46:5184-5195. DOI 10.1021/jm020970s · PubMed

Other PDB entries of the same protein (UniProt P12931 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9OFX 1.45 Å, Crystal structure of c-Src SH3 domain in H32 space group mediated by nickel
1FMK 1.5 Å, Crystal structure of human tyrosine-protein kinase C-src
1O43 1.5 Å, Crystal structure of SH2 in complex with RU82129.
1O4A 1.5 Å, Crystal structure of SH2 in complex with RU82197.
1O4R 1.5 Å, Crystal structure of SH2 in complex with RU78783.
2SRC 1.5 Å, Crystal structure of human tyrosine-protein kinase C-src, in complex with AMP-pnp
6C4S 1.5 Å, Human cSrc SH3 Domain in complex with Choline Kinase fragment 60-69
7NG7 1.5 Å, Src kinase bound to eCF506 trapped in inactive conformation
8VCF 1.5 Å, Crystal structure of Superbinder Src SH2 domain with Cysteine to Serine mutations
1O48 1.55 Å, Crystal structure of SH2 in complex with RU85053.
1O4G 1.55 Å, Crystal structure of SH2 in complex with DPI59.
1O4K 1.57 Å, Crystal structure of SH2 in complex with pasbn.

Browse structure collections

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