8TQD: NF-Kappa-B1

NF-Kappa-B1 Bound with a Covalent Inhibitor. Determined by X-ray diffraction at 2.02 Å resolution. Released 24 Apr 2024.

Method: X-ray diffraction
Resolution: 2.02 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,713
Mol. weight: 23.12 kDa
Ligands: JMR
Released: 24 Apr 2024

Explore 8TQD in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8TQD contains 10 α-helices and 15 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: 10 helices, 15 β-strands

Element	Residues	Length	Sheet
β-strand	43-48	6	1
α-helix	49	1
β-strand	50	1	2
α-helix	51	1
α-helix	56-57	2
β-strand	58	1	3
α-helix	60-62	3
β-strand	71	1	2
β-strand	83-87	5	1
β-strand	93-100	8	4
β-strand	108	1	4
β-strand	112-114	3	3
β-strand	118-119	2	4
β-strand	122-127	6	4
β-strand	133-135	3	1
β-strand	140-142	3	3
α-helix	143-144	2
α-helix	149-163	15
α-helix	167-170	4
α-helix	173-175	3
α-helix	190-206	17
β-strand	211-221	11	4
β-strand	227-230	4	4
α-helix	231-233	3
β-strand	234-240	7	4

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Nuclear factor NF-kappa-B p105 subunit	A	protein	207	Homo sapiens	P19838 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>8TQD_1 Nuclear factor NF-kappa-B p105 subunit (chains A)
GDGPYLQILEQPKQRGFRFRYVCEGPSHGGLPGASSEKNKKSYPQVKICNYVGPAKVIVQ
LVTNGKNIHLHAHSLVGKHCEDGICTVTAGPKDMVVGFANLGILHVTKKKVFETLEARMT
EACIRGYNPGLLVHPDLAYLQAEGGGDRQLGDREKELIRQAALQQTKEMDLSVVRLMFTA
FLPDSTGSFTRRLEPVVSDAIYDSKAP

Ligands and cofactors

ID	Name	Formula	Copies
JMR	1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(E)-iminomethyl]pyrrolidin-3-yl}methanesu…	C12 H15 Br Cl N3 O2 S	1

Primary citation

DrugMap: A quantitative pan-cancer analysis of cysteine ligandability. Takahashi, M., Chong, H.B., Zhang, S. et al. Cell (2024) 187:2536. DOI 10.1016/j.cell.2024.03.027 · PubMed

Other PDB entries of the same protein (UniProt P19838 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7LFC 2.1 Å, Structure of importin a3 bound to p50 NLS
7RG5 2.15 Å, Importin alpha3 in complex with p50 NLS
7LEQ 2.24 Å, Structure of importin a2 bound to p50 NLS
7LET 2.4 Å, Structure of importin a2 bound to the p50- and p65-NLSs
1SVC 2.6 Å, Nfkb P50 homodimer bound to DNA
7RG4 2.6 Å, Importin alpha2 in complex with p50 NLS
1NFI 2.7 Å, I-kappa-B-alpha/nf-kappa-B complex
2O61 2.8 Å, Crystal Structure of NFkB, IRF7, IRF3 bound to the interferon-b enhancer
7LF4 2.85 Å, Structure of importin a3 bound to the p50- and p65-NLSs
3GUT 3.59 Å, Crystal structure of a higher-order complex of p50:RelA bound to the HIV-1 LTR
1MDI High resolution solution NMR structure of mixed disulfide intermediate between mutant…
1MDJ High resolution solution NMR structure of mixed disulfide intermediate between human…

Browse structure collections

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