4NXR: PDB entry 4NXR

Crystal Structure of T-cell Lymphoma Invasion and Metastasis-1 PDZ Domain Quadruple Mutant (QM) in Complex With Neurexin-1 Peptide. Determined by X-ray diffraction at 1.9 Å resolution. Released 13 May 2015.

Method
X-ray diffraction
Resolution
1.9 Å
Organism
Homo sapiens
Chains
2
Atoms
919
Mol. weight
11.74 kDa
Ligands
ANS
Released
13 May 2015

Explore 4NXR in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4NXR contains 4 α-helices and 7 β-strands across 2 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: 4 helices, 6 β-strands

ElementResiduesLengthSheet
β-strand842-84981
α-helix850-8523
β-strand861-86771
β-strand870-87671
α-helix883-8864
β-strand894-89851
β-strand901-90221
α-helix903-9053
α-helix908-9169
β-strand919-92681
Chain B: 0 helices, 1 β-strand
ElementResiduesLengthSheet
β-strand2-761

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
T-lymphoma invasion and metastasis-inducing protein 1Aprotein94Homo sapiensQ13009 (AlphaFold model)
Neurexin-2-beta PeptideBprotein8Homo sapiensP58401 (AlphaFold model)
Sequence of entity 1 (A), FASTA
>4NXR_1 T-lymphoma invasion and metastasis-inducing protein 1 (chains A)
GAMGKVTHSIHIEKSDTAADTYGFSLSSVEEDGIRRLYVNSVKETGLASKKGLKAGDEIL
EINNRAADALNSSMMEDFFSQPSVGLLVRTYPEL
Sequence of entity 2 (B), FASTA
>4NXR_2 Neurexin-2-beta Peptide (chains B)
NKDKEYYV

Ligands and cofactors

IDNameFormulaCopies
ANS5-(dimethylamino)-1-naphthalenesulfonic acid(dansyl acid)C12 H13 N O3 S1

Water and common crystallization additives (EPE) are not listed.

Primary citation

Distinct Roles for Conformational Dynamics in Protein-Ligand Interactions. Liu, X., Speckhard, D.C., Shepherd, T.R. et al. Structure (2016) 24:2053-2066. DOI 10.1016/j.str.2016.08.019 · PubMed

Other PDB entries of the same protein (UniProt Q13009 (AlphaFold model), which also has an AlphaFold model), best resolution first:

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