ISDA: 9QKB

Deposition Date 2025-03-19

Release Date 2026-09-16

Last Version Date 2026-09-16

Entry Detail

PDB ID:

9QKB

Keywords:

METAL BINDING PROTEIN

Title:

NCS-1 bound to XChem ligand 5

Biological Source:

Source Organism(s):

Homo sapiens (Taxon ID: 9606)

Expression System(s):

Escherichia coli bl21

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

2.01 Å

R-Value Free:

0.26

R-Value Work:

0.21

R-Value Observed:

0.21

Space Group:

P 1 21 1

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Macromolecular Entities

Polymer Type:polypeptide(L)
Molecule:Neuronal calcium sensor 1
Chain IDs:A (auth: B), B (auth: A)
Chain Length:190
Number of Molecules:2
Biological Source:Homo sapiens

Ligand Molecules

1PE

A1I7A

ACT

Primary Citation

A resource-efficient structure-based workflow for fragment progression enables parallel hit discovery and validation of functionally diverse modulators of NCS-1 protein-protein interactions

Munoz-Reyes, D, Fieseler, K.K, Winokan, M, Golding, M.N, Capkin, E, Ferla, M, Perez-Suarez, S, Tomlinson, C.W, Marples, P.G, Miro-Rodriguez, C, Aguado, L, Mansilla, A, Fearon, D, Thompson, W.A, von Delft, F, Sanchez-Barrena, M.J.Show

Chem Sci ? ? ? (2026)

DOI: 10.1039/D6SC02031C

Primary Citation of related structures

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