5DC4: Monobody AS25/ABL1 SH2 domain complex, crystal a

Crystal structure of monobody AS25/ABL1 SH2 domain complex, crystal a. Determined by X-ray diffraction at 1.48 Å resolution. Released 2 Mar 2016.

Method: X-ray diffraction
Resolution: 1.48 Å
Organism: Homo sapiens
Chains: 2
Atoms: 1,717
Mol. weight: 24.09 kDa
Released: 2 Mar 2016

Explore 5DC4 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5DC4 contains 7 α-helices and 19 β-strands across 2 chains. 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, 10 β-strands

Element	Residues	Length	Sheet
α-helix	141-143	3
β-strand	147-150	4	1
α-helix	153-159	7
β-strand	167-172	6	1
β-strand	180-186	7	1
β-strand	189-194	6	1
β-strand	196-197	2	2
β-strand	203-206	4	2
β-strand	209-211	3	2
α-helix	214-221	8
β-strand	226	1	3
β-strand	228	1	3
β-strand	234-235	2	1
α-helix	236-238	3

Chain B: 3 helices, 9 β-strands

Element	Residues	Length	Sheet
β-strand	5	1	4
β-strand	8-16	9	5
β-strand	19-25	7	5
α-helix	26-27	2
β-strand	33-40	8	6
β-strand	48-53	6	6
β-strand	58-62	5	5
α-helix	64-65	2
β-strand	69-76	8	6
α-helix	81-84	4
β-strand	87	1	4
β-strand	89-94	6	6

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Tyrosine-protein kinase ABL1	A	protein	123	Homo sapiens	P00519 (AlphaFold model)
AS25 monobody	B	protein	95	Homo sapiens	P02751 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>5DC4_1 Tyrosine-protein kinase ABL1 (chains A)
GSPSNYITPVNSLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEG
RVYHYRINTASDGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAPKRNKPTVYGVS
PNY

Sequence of entity 2 (B), FASTA

>5DC4_2 AS25 monobody (chains B)
SSVSDVPTKLEVVAATPTSLLISWDAPAVTVDYYVITYGETGGWSGYQEFEVPGSKSTAT
ISGLSPGVDYTITVYAYGYPYVKYNKSPISINYRT

Primary citation

Allosteric Inhibition of Bcr-Abl Kinase by High Affinity Monobody Inhibitors Directed to the Src Homology 2 (SH2)-Kinase Interface. Wojcik, J., Lamontanara, A.J., Grabe, G. et al. J Biol Chem (2016) 291:8836-8847. DOI 10.1074/jbc.M115.707901 · PubMed

Other PDB entries of the same protein (UniProt P00519 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5OAZ 1.03 Å, Crystal structure of the Abl-SH3 domain at pH 7.5
7PVS 1.05 Å, Crystal structure of the Abl SH3 domain V73E-A74S-S75R-G76T-D77E-G92N-Y93N-N94T-H95E…
4J9C 1.05 Å, Crystal structure of the Abl-SH3 domain H59Q-N96T mutant complexed with the designed…
4J9F 1.09 Å, Crystal structure of the Abl-SH3 domain complexed with the high affinity peptide P0
7PW2 1.1 Å, Crystal structure of the Abl SH3 domain V73E-A74S-S75R-G76T-D77E mutant
3EG3 1.4 Å, Crystal structure of the N114A mutant of ABL-SH3 domain
4J9E 1.4 Å, Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high…
4J9D 1.5 Å, Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high…
5HU9 1.53 Å, Crystal structure of ABL1 in complex with CHMFL-074
7PVQ 1.55 Å, Crystal structure of the Abl SH3 domain V73E-A74S-S75R-G76T-D77E-G92N-Y93N-N94T-H95E…
5DC9 1.56 Å, Crystal structure of monobody AS25/ABL1 SH2 domain complex, crystal B
4JJC 1.6 Å, Crystal structure of the Abl-SH3 domain at pH5

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