6GJS: Human NBD1 of CFTR

Human NBD1 of CFTR in complex with nanobodies D12 and T4. Determined by X-ray diffraction at 1.95 Å resolution. Released 26 Jun 2019.

Method: X-ray diffraction
Resolution: 1.95 Å
Organisms: Homo sapiens, Lama glama
Chains: 3
Atoms: 3,928
Mol. weight: 57.84 kDa
Ligands: MG, ATP
Released: 26 Jun 2019

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

Secondary structure: helices and β-sheets

6GJS contains 15 α-helices and 38 β-strands across 3 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: 11 helices, 15 β-strands

Element	Residues	Length	Sheet
β-strand	390-399	10	1
β-strand	441	1	1
β-strand	442	1	2
β-strand	443-449	7	1
β-strand	453-457	5	2
α-helix	464-471	8
β-strand	479-484	6	1
β-strand	488-491	4	2
β-strand	500-501	2	3
α-helix	502-507	6
α-helix	514-523	10
α-helix	527-531	5
α-helix	536-538	3
α-helix	539	1
β-strand	540-541	2	3
β-strand	546	1	3
α-helix	550-563	14
β-strand	568-572	5	2
α-helix	580-586	7
α-helix	587-594	8
β-strand	600-603	4	2
β-strand	606	1	4
α-helix	607-610	4
β-strand	615-620	6	2
β-strand	623-628	6	2
α-helix	630-634	5

Chain B: 2 helices, 12 β-strands

Element	Residues	Length	Sheet
β-strand	2-7	6	5
β-strand	10-12	3	6
β-strand	18-26	9	5
β-strand	28-39	12	6
α-helix	44-45	2
β-strand	46-51	6	6
β-strand	57-59	3	6
β-strand	67-72	6	5
β-strand	77-82	6	5
α-helix	87-89	3
β-strand	91-101	11	6
β-strand	109	1	4
β-strand	110-113	4	6
β-strand	117-121	5	6

Chain C: 2 helices, 11 β-strands

Element	Residues	Length	Sheet
β-strand	2-7	6	7
β-strand	10-13	4	8
β-strand	18-26	9	7
β-strand	30-39	10	8
β-strand	46-51	6	8
β-strand	56-58	3	8
α-helix	60-62	3
β-strand	66-71	6	7
β-strand	76-81	6	7
α-helix	86-88	3
β-strand	90-99	10	8
β-strand	103-107	5	8
β-strand	111-116	6	8

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Cystic fibrosis transmembrane conductance regulator	A	protein	229	Homo sapiens	P13569 (AlphaFold model)
Nanobody D12	B	protein	149	Lama glama
Nanobody T4	C	protein	143	Lama glama

Sequence of entity 1 (A), FASTA

>6GJS_1 Cystic fibrosis transmembrane conductance regulator (chains A)
SLTTTEVVMENVTAFWEEGGTPVLKDINFKIERGQLLAVAGSTGAGKTSLLMMIMGELEP
SEGKIKHSGRISFCSQFSWIMPGTIKENIIFGVSYDEYRYRSVIKACQLEEDISKFAEKD
NIVLGEGGITLSGGQRARISLARAVYKDADLYLLDSPFGYLDVLTEKEIFESCVCKLMAN
KTRILVTSKMEHLKKADKILILHEGSSYFYGTFSELQNLQPDFSSKLMG

Sequence of entity 2 (B), FASTA

>6GJS_2 Nanobody D12 (chains B)
QVQLQESGGGLVQAGSSLRLACAATGSIRSINNMGWYRQAPGKQRGMVAIITRVGNTDYA
DSVKGRFTISRDNAKNTVYLQMNSLKPEDTATYYCHAEITEQSRPFYLTDDYWGQGTQVT
VSSAAAHHHHHHGAAEQKLISEEDLNGAA

Sequence of entity 3 (C), FASTA

>6GJS_3 Nanobody T4 (chains C)
QVQLQESGGGLVQAGGSLRLSCAASGSTFAIIAMGWYRQAPGKQRELVAVISTGDTRYAD
SVKGRFTISRDNAKNTVYLQMDSLRPEDTAVYYCNAAVQVRDYRNYWGQGTQVTVSSAAA
HHHHHHGAAEQKLISEEDLNGAA

Ligands and cofactors

ID	Name	Formula	Copies
MG	Magnesium ion	Mg	2
ATP	Adenosine-5'-triphosphate	C10 H16 N5 O13 P3	1

Primary citation

Domain-interface dynamics of CFTR revealed by stabilizing nanobodies. Sigoillot, M., Overtus, M., Grodecka, M. et al. Nat Commun (2019) 10:2636-2636. DOI 10.1038/s41467-019-10714-y · PubMed

Other PDB entries of the same protein (UniProt P13569 (AlphaFold model), which also has an AlphaFold model), best resolution first:

2PZE 1.7 Å, Minimal human CFTR first nucleotide binding domain as a head-to-tail dimer
7QI1 1.76 Å, Crystal structure of human 14-3-3 protein beta in complex with CFTR peptide pS753pS768…
2PZG 1.8 Å, Minimal human CFTR first nucleotide binding domain as a monomer
5TFJ 1.85 Å, Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance…
6WBS 1.86 Å, Human CFTR first nucleotide binding domain with dF508/V510D
6HEP 1.86 Å, Crystal structure of human 14-3-3 beta in complex with CFTR R-domain peptide pS753-pS768
5TF8 1.86 Å, Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance…
5TFA 1.87 Å, Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance…
5TFB 1.87 Å, Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance…
5TFD 1.89 Å, Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance…
5TFF 1.89 Å, Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance…
5TFI 1.89 Å, Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance…

Browse structure collections

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