5WFV: Kelch domain of human Keap1

Kelch domain of human Keap1 bound to Nrf2 ETGE peptide. Determined by X-ray diffraction at 1.91 Å resolution. Released 19 Sept 2018.

Method: X-ray diffraction
Resolution: 1.91 Å
Organism: Homo sapiens
Chains: 3
Atoms: 4,606
Mol. weight: 74.95 kDa
Released: 19 Sept 2018

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

Secondary structure: helices and β-sheets

5WFV contains 11 α-helices and 78 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: 5 helices, 38 β-strands

Element	Residues	Length	Sheet
β-strand	328-331	4	1
β-strand	334-335	2	2
β-strand	337-338	2	2
β-strand	342-345	4	1
β-strand	353-354	2	1
α-helix	356-358	3
β-strand	363	1	3
β-strand	366-370	5	4
β-strand	373-377	5	4
β-strand	380-383	4	3
β-strand	386-389	4	3
β-strand	393-397	5	4
β-strand	402-405	4	4
α-helix	407-409	3
β-strand	414	1	5
β-strand	417-421	5	6
β-strand	424-428	5	6
β-strand	431-432	2	5
β-strand	435-436	2	5
β-strand	440-444	5	6
β-strand	449-452	4	6
α-helix	454-456	3
β-strand	461	1	7
β-strand	464-468	5	7
β-strand	471-478	8	7
β-strand	483-491	9	7
β-strand	496-499	4	7
α-helix	501-503	3
β-strand	508	1	8
β-strand	511-515	5	9
β-strand	518-522	5	9
β-strand	525	1	8
β-strand	530	1	8
β-strand	534-538	5	9
β-strand	543-546	4	9
α-helix	548-550	3
β-strand	555	1	10
β-strand	558-562	5	10
β-strand	565-572	8	10
β-strand	577-585	9	10
β-strand	590-596	7	10
β-strand	602	1	2
β-strand	605-608	4	1

Chain B: 6 helices, 40 β-strands

Element	Residues	Length	Sheet
β-strand	326-331	6	11
β-strand	334-335	2	12
β-strand	337-338	2	12
β-strand	342-345	4	11
β-strand	352-354	3	11
α-helix	356-358	3
β-strand	363	1	13
β-strand	366-370	5	14
β-strand	373-377	5	14
β-strand	380-383	4	13
β-strand	386-389	4	13
β-strand	393-397	5	14
β-strand	402-405	4	14
α-helix	407-409	3
β-strand	414	1	15
β-strand	417-421	5	16
β-strand	424-428	5	16
β-strand	431-432	2	15
β-strand	435-436	2	15
β-strand	440-444	5	16
β-strand	449-452	4	16
α-helix	454-456	3
β-strand	461	1	17
β-strand	464-468	5	17
β-strand	471-478	8	17
β-strand	483-491	9	17
β-strand	496-499	4	17
α-helix	501-503	3
β-strand	508	1	18
β-strand	511-515	5	19
β-strand	518-522	5	19
β-strand	525	1	18
β-strand	530	1	18
β-strand	534-538	5	19
β-strand	543-546	4	19
α-helix	548-550	3
β-strand	555	1	20
β-strand	558-562	5	21
β-strand	565-569	5	21
β-strand	572	1	20
β-strand	577	1	20
β-strand	580-585	6	21
β-strand	590-596	7	21
β-strand	602	1	12
β-strand	605-610	6	11
α-helix	611-612	2

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Kelch-like ECH-associated protein 1	A, B	protein	336	Homo sapiens	Q14145 (AlphaFold model)
Nrf2 ETGE peptide	P	protein	9	Homo sapiens	Q16236 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>5WFV_1 Kelch-like ECH-associated protein 1 (chains A, B)
MGSSHHHHHHSSGGENLYFQGHMKPTQVMPSRAPKVGRLIYTAGGYFRQSLSYLEAYNPS
DGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAP
MSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVL
NRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQ
DQLNSVERYDVATATWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDT
DTWSEVTRMTSGRSGVGVAVTMEPSRKQIDQQNSTS

Sequence of entity 2 (P), FASTA

>5WFV_2 Nrf2 ETGE peptide (chains P)
LDEETGEFL

Primary citation

Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2). Zhong, M., Lynch, A., Muellers, S.N. et al. Biochemistry (2020) 59:563-581. DOI 10.1021/acs.biochem.9b00943 · PubMed

Other PDB entries of the same protein (UniProt Q14145 (AlphaFold model), which also has an AlphaFold model), best resolution first:

8XGK 1.32 Å, Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2…
1ZGK 1.35 Å, 1.35 angstrom structure of the Kelch domain of Keap1
8XGV 1.42 Å, Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2…
6TYM 1.42 Å, KEAP1 Kelch domain in complex with Compound 9
9KVW 1.44 Å, Crystal Structures of Keap1-compound complexes
8IXS 1.48 Å, Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for…
2FLU 1.5 Å, Crystal Structure of the Kelch-Neh2 Complex
8IVR 1.5 Å, Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for…
9R1Z 1.5 Å, Keap1 - inhibitor complex - 3
8PKW 1.54 Å, Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 5…
8PKV 1.55 Å, Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 4…
9M24 1.57 Å, Crystal Structure of kelch domain of human KEAP1 in complex with CH7450924

Browse structure collections

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