6T7V: KEAP1

KEAP1 in complex with peptide 8. Determined by X-ray diffraction at 2.6 Å resolution. Released 9 Sept 2020.

Method: X-ray diffraction
Resolution: 2.6 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,334
Mol. weight: 33.03 kDa
Released: 9 Sept 2020

Explore 6T7V in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6T7V contains 4 α-helices and 38 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, 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	342-346	5	1
β-strand	351-354	4	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	380-382	3	3
β-strand	387-389	3	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	496-500	5	7
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	543-547	5	9
α-helix	548-550	3
β-strand	555	1	10
β-strand	558-561	4	10
β-strand	566-572	7	10
β-strand	577-585	9	10
β-strand	590-596	7	10
β-strand	602	1	2
β-strand	605-608	4	1

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Kelch-like ECH-associated protein 1	A	protein	293	Homo sapiens	Q14145 (AlphaFold model)
Leu-asp-pro-glu-thr-gly-glu-phe-leu	I	protein	9	Homo sapiens	Q16236 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>6T7V_1 Kelch-like ECH-associated protein 1 (chains A)
GSHMAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYA
VGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIH
HNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNE
WRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVATATWTFVAPMKHRRSA
LGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVT

Sequence of entity 2 (I), FASTA

>6T7V_2 LEU-ASP-PRO-GLU-THR-GLY-GLU-PHE-LEU (chains I)
LDPETGEFL

Primary citation

Optimization of linear and cyclic peptide inhibitors of KEAP1-NRF2 protein-protein interaction. Colarusso, S., De Simone, D., Frattarelli, T. et al. Bioorg Med Chem (2020) 28:115738-115738. DOI 10.1016/j.bmc.2020.115738 · 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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