4W50: EphA4 LBD

Structure of the EphA4 LBD in complex with peptide. Determined by X-ray diffraction at 2.42 Å resolution. Released 8 Oct 2014.

Method: X-ray diffraction
Resolution: 2.42 Å
Organisms: Homo sapiens, synthetic construct
Chains: 8
Atoms: 6,326
Mol. weight: 88.44 kDa
Ligands: BU2
Released: 8 Oct 2014

Explore 4W50 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4W50 contains 13 α-helices and 64 β-strands across 7 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: 3 helices, 15 β-strands

Element	Residues	Length	Sheet
β-strand	30-35	6	1
α-helix	36-38	3
β-strand	46-48	3	2
β-strand	55-60	6	1
β-strand	66-72	7	1
β-strand	82-85	4	2
α-helix	86-88	3
β-strand	89-90	2	2
β-strand	97-105	9	1
β-strand	119	1	3
β-strand	121-129	9	2
α-helix	139-141	3
β-strand	143-149	7	2
β-strand	154-158	5	1
β-strand	163-173	11	1
β-strand	180-187	8	2
β-strand	190	1	3
β-strand	192-202	11	1

Chain B: 3 helices, 15 β-strands

Element	Residues	Length	Sheet
β-strand	30-35	6	4
α-helix	36-38	3
β-strand	46-48	3	5
β-strand	55-60	6	4
β-strand	66-72	7	4
β-strand	82-85	4	5
α-helix	86-88	3
β-strand	89-90	2	5
β-strand	97-106	10	4
α-helix	108-110	3
β-strand	119	1	6
β-strand	121-129	9	5
β-strand	143-149	7	5
β-strand	154-158	5	4
β-strand	163-173	11	4
β-strand	180-187	8	5
β-strand	190	1	6
β-strand	191-202	12	4

Chain C: 2 helices, 13 β-strands

Element	Residues	Length	Sheet
β-strand	30-35	6	4
α-helix	36-38	3
β-strand	46-48	3	7
β-strand	55-59	5	4
β-strand	67-72	6	4
β-strand	82-85	4	7
β-strand	89-90	2	7
β-strand	97-105	9	4
β-strand	121-129	9	7
α-helix	139-141	3
β-strand	143-149	7	7
β-strand	153-158	6	4
β-strand	163-173	11	4
β-strand	180-187	8	7
β-strand	192-202	11	4

Chain D: 5 helices, 15 β-strands

Element	Residues	Length	Sheet
β-strand	30-35	6	1
α-helix	36-38	3
β-strand	46-48	3	8
β-strand	55-59	5	1
β-strand	67-72	6	1
β-strand	82-85	4	8
α-helix	86-88	3
β-strand	89-90	2	8
β-strand	97-105	9	1
α-helix	108-110	3
β-strand	119	1	9
β-strand	121-129	9	8
α-helix	139-141	3
α-helix	142	1
β-strand	143-149	7	8
β-strand	153-158	6	1
β-strand	163-173	11	1
β-strand	180-187	8	8
β-strand	190	1	9
β-strand	192-202	11	1

Chains F, G and H: 0 helices, 2 β-strands

Element	Residues	Length	Sheet
β-strand	5-6	2	10
β-strand	10-11	2	10

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Ephrin type-A receptor 4	A, B, C, D	protein	179	Homo sapiens	P54764 (AlphaFold model)
APY peptide	E, F, G, H	protein	12	synthetic construct

Sequence of entity 1 (A, B, C, D), FASTA

>4W50_1 Ephrin type-A receptor 4 (chains A, B, C, D)
GPGNEVTLLDSRSVQGELGWIASPLEGGWEEVSIMDEKNTPIRTYQVCNVMEPSQNNWLR
TDWITREGAQRVYIEIKFTLRDCNSLPGVMGTCKETFNLYYYESDNDKERFIRENQFVKI
DTIAADESFTQVDIGDRIMKLNTEIRDVGPLSKKGFYLAFQDVGACIALVSVRVFYKKA

Sequence of entity 2 (E, F, G, H), FASTA

>4W50_2 APY peptide (chains E, F, G, H)
APYCVYRGSWSC

Ligands and cofactors

ID	Name	Formula	Copies
BU2	1,3-butanediol	C4 H10 O2	4

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

Primary citation

Development and Structural Analysis of a Nanomolar Cyclic Peptide Antagonist for the EphA4 Receptor. Lamberto, I., Lechtenberg, B.C., Olson, E.J. et al. ACS Chem Biol (2014) 9:2787-2795. DOI 10.1021/cb500677x · PubMed

Other PDB entries of the same protein (UniProt P54764 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7OFV 1.43 Å, NMR-guided design of potent and selective EphA4 agonistic ligands
5JR2 1.75 Å, Crystal structure of the EphA4 LBD in complex with APYd3 peptide inhibitor
2WO1 1.85 Å, Crystal Structure of the EphA4 Ligand Binding Domain
4M4P 2.08 Å, Crystal structure of EPHA4 ectodomain
2WO3 2.35 Å, Crystal Structure of the EphA4-ephrinA2 complex
4W4Z 2.41 Å, Structure of the EphA4 LBD in complex with peptide
2WO2 2.45 Å, Crystal Structure of the EphA4-ephrinB2 complex
3GXU 2.5 Å, Crystal structure of Eph receptor and ephrin complex
9CY8 2.5 Å, Constrained b-hairpins targeting the EphA4 ligand binding domain
3CKH 2.8 Å, Crystal structure of Eph A4 receptor
4M4R 3.13 Å, Epha4 ectodomain complex with ephrin a5
4BK4 3.65 Å, crystal structure of the human EphA4 ectodomain

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