MolNFT v1 · #179337 · protein

Kelch domain of human KEAP1 bound to NRF2 cyclic peptide, C[GDPEAGE]

7K2J · Kelch-like ech-associated protein 1: “Kelch domain of human KEAP1 bound to NRF2 cyclic peptide, C[GDPEAGE]”. X-ray diffraction, 9 pockets (best druggability 0.76). MolNFT v1 #179337 on GenesisL1: 3D structure, binding sites and…

PDB: 7K2J
Type: protein
Length: 578 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Kelch-like ech-associated protein 1; NRF2 cyclic PEPTIDE,C[GDPEAGE]
UniProt: Q14145
Pockets: 9 · best druggability 0.76

Structure

x-ray diffraction · 3 distinct chains · 1% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Kelch-like ech-associated protein 1	protein	288	0% helix, 49% strand	Q14145
B	Kelch-like ech-associated protein 1	protein	283	1% helix, 52% strand	Q14145
P	NRF2 cyclic PEPTIDE,C[GDPEAGE]	protein	7	0% helix, 0% strand	—

Pockets

9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	392	0.76	0.86	41	empty
2	403	0.71	0.82	36	empty
3	60	0.63	0.92	21	empty
4	121	0.40	0.75	20	empty
5	128	0.39	0.74	23	empty

Interfaces

2 interfaces between chains.

A–B · 743 Å² buried · 7 hydrogen bonds · protein-protein
B–P · 452 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

7K2J · Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GDPEAGE] · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q14145
Elsewhere: RCSB PDB 7K2J · PDBe 7K2J · UniProt Q14145

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