6F5E: DD_D12_10_47

Crystal structure of DARPin-DARPin rigid fusion, variant DD_D12_10_47 in complex JNK1a1 and JIP1 peptide. Determined by X-ray diffraction at 2.7 Å resolution. Released 13 Dec 2017.

Method: X-ray diffraction
Resolution: 2.7 Å
Organisms: synthetic construct, Homo sapiens, Mus musculus
Chains: 3
Atoms: 5,283
Mol. weight: 79.61 kDa
Released: 13 Dec 2017

Explore 6F5E in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6F5E contains 42 α-helices and 11 β-strands across 3 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: 19 helices, 0 β-strands

Element	Residues	Length
α-helix	13-24	12
α-helix	27-36	10
α-helix	50-57	8
α-helix	60-68	9
α-helix	83-90	8
α-helix	93-101	9
α-helix	116-122	7
α-helix	126-134	9
α-helix	149-155	7
α-helix	159-180	22
α-helix	183-191	9
α-helix	206-213	8
α-helix	216-224	9
α-helix	239-246	8
α-helix	249-257	9
α-helix	272-279	8
α-helix	282-290	9
α-helix	305-311	7
α-helix	315-324	10

Chain B: 22 helices, 11 β-strands

Element	Residues	Length	Sheet
β-strand	10-15	6	1
β-strand	18-23	6	1
β-strand	26-31	6	2
β-strand	40-45	6	2
β-strand	50-58	9	2
α-helix	60-62	3
α-helix	64-79	16
β-strand	85	1	3
β-strand	88-92	5	2
β-strand	103-109	7	2
β-strand	113-114	2	3
α-helix	115-118	4
α-helix	125-144	20
α-helix	154-156	3
β-strand	157-159	3	3
β-strand	165-167	3	3
α-helix	189-191	3
α-helix	194-197	4
α-helix	206-220	15
α-helix	230-241	12
α-helix	243-245	3
α-helix	246-249	4
α-helix	254-260	7
α-helix	264-265	2
α-helix	271-274	4
α-helix	285-301	17
α-helix	310-311	2
α-helix	312-316	5
α-helix	322-324	3
α-helix	327-330	4
α-helix	332-335	4
α-helix	337-338	2
α-helix	349-360	12

Chain C: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	155-157	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
DD_D12_10_47	A	protein	325	synthetic construct
Mitogen-activated protein kinase 8	B	protein	373	Homo sapiens	P45983 (AlphaFold model)
C-Jun-amino-terminal kinase-interacting protein 1	C	protein	11	Mus musculus	Q9WVI9 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>6F5E_1 DD_D12_10_47 (chains A)
MRGSHHHHHHGSDLGKKLLEAARAGQDDEVRILLANGADVNTADETGFTPLHLAAWEGHL
GIVEVLLKNGADVNANDERGHTPLHLAAYTGHLEIVEVLLKNGAGVNATDVIGTAPLHLA
AMWGHLEIVEVLLKNGADVNAQDKFGKTPYDLATDNGNQWIAELLKRAALRRKLLEAARA
GHRDEVEDLIKNGADVNAIDAMGLTPLHLAAMRGHLEIVEVLLKYGADVNAEDYYGTTPL
RLAAYIGHLEIVEVLLKYGADVNAYDISGTTPLHLAAVLGHLEIVEVLLKYGADVNAQDK
FGKTAFDISIDNGNEDLAEILQKLN

Sequence of entity 2 (B), FASTA

>6F5E_2 Mitogen-activated protein kinase 8 (chains B)
MRGSHHHHHHGSRSKRDNNFYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAILER
NVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIIGLLNVFTPQKSLEEFQDVYIVMEL
MDANLCQVIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDF
GLARTAGTSFMMTPYVVTRYYRAPEVILGMGYKENVDLWSVGCIMGEMVCHKILFPGRDY
IDQWNKVIEQLGTPCPEFMKKLQPTVRTYVENRPKYAGYSFEKLFPDVLFPADSEHNKLK
ASQARDLLSKMLVIDASKRISVDEALQHPYINVWYDPSEAEAPPPKIPDKQLDEREHTIE
EWKELIYKEVMDL

Sequence of entity 3 (C), FASTA

>6F5E_3 C-Jun-amino-terminal kinase-interacting protein 1 (chains C)
RPKRPTTLNLF

Primary citation

Crystal structure of DARPin-DARPin rigid fusion, variant DD_D12_10_47 in complex JNK1a1 and JIP1 peptide. Wu, Y., Mittl, P.R., Honegger, A. et al. To be published.

Other PDB entries of the same protein (UniProt P45983 (AlphaFold model), which also has an AlphaFold model), best resolution first:

2XRW 1.33 Å, Linear binding motifs for JNK and for calcineurin antagonistically control the nuclear…
12CV 1.5 Å, Crystal Structure of human JNK1 Kinase Domain in complex with inhibitor CCD-2728
4QTD 1.5 Å, Structure of human JNK1 in complex with SCH772984 and the AMPPNP-hydrolysed triphosphate…
11ZL 1.55 Å, Crystal Structure of human JNK1 Kinase Domain in complex with inhibitor CCD-3013
8R5E 1.7 Å, JNK1 covalently bound to RU77 cyclohexenone based inhibitor
3ELJ 1.8 Å, Jnk1 complexed with a bis-anilino-pyrrolopyrimidine inhibitor.
4AWI 1.91 Å, Human Jnk1alpha kinase with 4-phenyl-7-azaindole IKK2 inhibitor.
4L7F 1.95 Å, Co-crystal Structure of JNK1 and AX13587
3PZE 2.0 Å, JNK1 in complex with inhibitor
8X5M 2.0 Å, The Crystal Structure of JNK1 from Biortus.
4HYU 2.15 Å, Crystal structure of JNK1 in complex with JIP1 peptide and…
4E73 2.27 Å, Crystal structure of JNK1beta-JIP in complex with an azaquinolone inhbitor

Browse structure collections

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