1NFI: I-kappa-B-alpha/nf-kappa-B complex

I-kappa-B-alpha/nf-kappa-B complex. Determined by X-ray diffraction at 2.7 Å resolution. Released 18 Nov 1998.

Method: X-ray diffraction
Resolution: 2.7 Å
Organism: Homo sapiens
Chains: 6
Atoms: 9,890
Mol. weight: 140.6 kDa
Released: 18 Nov 1998

Explore 1NFI in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1NFI contains 51 α-helices and 82 β-strands across 6 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: 7 helices, 30 β-strands

Element	Residues	Length	Sheet
β-strand	21-25	5	1
β-strand	27	1	2
β-strand	32	1	3
β-strand	35	1	4
β-strand	48	1	2
β-strand	60-63	4	1
β-strand	70-78	9	5
β-strand	85	1	5
β-strand	89-91	3	4
β-strand	95	1	5
β-strand	99-104	6	5
β-strand	112	1	1
β-strand	117-119	3	4
α-helix	126-129	4
β-strand	156-164	9	5
β-strand	165-166	2	6
β-strand	172-173	2	6
β-strand	178	1	5
β-strand	183-184	2	5
β-strand	185	1	3
α-helix	189-190	2
β-strand	196-199	4	7
β-strand	203-205	3	8
β-strand	211-216	6	7
β-strand	225-230	6	8
β-strand	233-237	5	8
β-strand	238	1	7
α-helix	241-243	3
β-strand	244-245	2	7
β-strand	249-253	5	7
α-helix	254-257	4
β-strand	266-274	9	8
β-strand	279-280	2	8
α-helix	281-283	3
β-strand	284-289	6	8
α-helix	294-302	9
α-helix	306-312	7

Chain B: 2 helices, 11 β-strands

Element	Residues	Length	Sheet
β-strand	253-256	4	9
β-strand	260-262	3	10
β-strand	268-273	6	9
β-strand	282-288	7	10
β-strand	294-298	5	10
β-strand	300	1	9
α-helix	303-305	3
β-strand	306-307	2	9
β-strand	311-315	5	9
α-helix	316-319	4
β-strand	328-335	8	10
β-strand	342	1	10
β-strand	346-351	6	10

Chain C: 7 helices, 30 β-strands

Element	Residues	Length	Sheet
β-strand	21-25	5	11
β-strand	27	1	12
β-strand	32	1	13
β-strand	35	1	14
β-strand	48	1	12
β-strand	60-63	4	11
β-strand	70-78	9	15
β-strand	85	1	15
β-strand	89-91	3	14
β-strand	95	1	15
β-strand	99-104	6	15
β-strand	112	1	11
β-strand	117-119	3	14
α-helix	126-129	4
α-helix	145-147	3
β-strand	156-164	9	15
β-strand	165-166	2	16
β-strand	172-173	2	16
β-strand	178	1	15
β-strand	183-184	2	15
β-strand	185	1	13
β-strand	196-199	4	17
β-strand	203-205	3	18
β-strand	211-216	6	17
β-strand	225-230	6	18
β-strand	233-237	5	18
β-strand	238	1	17
α-helix	241-243	3
β-strand	244-245	2	17
β-strand	249-253	5	17
α-helix	254-257	4
β-strand	266-274	9	18
β-strand	279-280	2	18
α-helix	281-283	3
β-strand	284-289	6	18
α-helix	294-303	10
α-helix	306-315	10

Chain D: 3 helices, 11 β-strands

Element	Residues	Length	Sheet
β-strand	253-256	4	19
β-strand	260-262	3	20
β-strand	268-273	6	19
β-strand	282-288	7	20
β-strand	294-298	5	20
β-strand	300	1	19
α-helix	303-305	3
β-strand	306-307	2	19
β-strand	311-315	5	19
α-helix	316-319	4
β-strand	328-335	8	20
β-strand	342	1	20
β-strand	346-351	6	20
α-helix	352-353	2

Chains E and F: 16 helices, 0 β-strands

Element	Residues	Length
α-helix	77-83	7
α-helix	87-96	10
α-helix	101-104	4
α-helix	114-120	7
α-helix	124-132	9
α-helix	147-154	8
α-helix	157-165	9
α-helix	171-177	7
α-helix	186-192	7
α-helix	196-204	9
α-helix	211-213	3
α-helix	220-226	7
α-helix	230-238	9
α-helix	254-256	3
α-helix	263-269	7
α-helix	274-276	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Nf-kappa-B P65	A, C	protein	301	Homo sapiens	Q04206 (AlphaFold model)
Nf-kappa-B P50	B, D	protein	107	Homo sapiens	P19838 (AlphaFold model)
I-kappa-B-alpha	E, F	protein	213	Homo sapiens	P25963 (AlphaFold model)

Sequence of entity 1 (A, C), FASTA

>1NFI_1 NF-KAPPA-B P65 (chains A, C)
YVEIIEQPKQRGMRFRYKCEGRSAGSIPGERSTDTTKTHPTIKINGYTGPGTVRISLVTK
DPPHRPHPHELVGKDCRDGFYEAELCPDRCIHSFQNLGIQCVKKRDLEQAISQRIQTNNN
PFQVPIEEQRGDYDLNAVRLCFQVTVRDPSGRPLRLPPVLPHPIFDNRAPNTAELKICRV
NRNSGSCLGGDEIFLLCDKVQKEDIEVYFTGPGWEARGSFSQADVHRQVAIVFRTPPYAD
PSLQAPVRVSMQLRRPSDRELSEPMEFQYLPDTDDRHRIEEKRKRTYETFKSIMKKSPFS
G

Sequence of entity 2 (B, D), FASTA

>1NFI_2 NF-KAPPA-B P50 (chains B, D)
SNLKIVRMDRTAGCVTGGEEIYLLCDKVQKDDIQIRFYEEEENGGVWEGFGDFSPTDVHR
QFAIVFKTPKYKDINITKPASVFVQLRRKSDLETSEPKPFLYYPEIK

Sequence of entity 3 (E, F), FASTA

>1NFI_3 I-KAPPA-B-ALPHA (chains E, F)
LTEDGDSFLHLAIIHEEKALTMEVIRQVKGDLAFLNFQNNLQQTPLHLAVITNQPEIAEA
LLGAGCDPELRDFRGNTPLHLACEQGCLASVGVLTQSCTTPHLHSILKATNYNGHTCLHL
ASIHGYLGIVELLVSLGADVNAQEPCNGRTALHLAVDLQNPDLVSLLLKCGADVNRVTYQ
GYSPYQLTWGRPSTRIQQQLGQLTLENLQMLPE

Primary citation

Structure of an IkappaBalpha/NF-kappaB complex. Jacobs, M.D., Harrison, S.C. Cell (1998) 95:749-758. DOI 10.1016/S0092-8674(00)81698-0 · PubMed

Other PDB entries of the same protein (UniProt Q04206 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6NV2 1.13 Å, 14-3-3 sigma with RelA/p65 binding site pS45 in complex with DP005
6QHL 1.2 Å, 14-3-3 sigma with RelA/p65 binding site pS45
7BI3 1.2 Å, 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-179
7BIQ 1.2 Å, 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-180
7BIW 1.2 Å, 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-187
7NV4 1.2 Å, 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-188
7NVI 1.2 Å, 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-186
7NWS 1.2 Å, 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-185
7NXS 1.2 Å, 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-184
7NXT 1.2 Å, 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-183
7NXW 1.2 Å, 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-182
7NXY 1.2 Å, 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-181

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