3SFJ

Crystal Structure of Tax-Interacting Protein-1 (TIP-1) PDZ domain bound to iCAL36 inhibitor peptide

PDB DOI: https://doi.org/10.2210/pdb3SFJ/pdb

Classification: SIGNALING PROTEIN/INHIBITOR
Organism(s): Homo sapiens
Expression System: Escherichia coli BL21(DE3)
Mutation(s): No

Deposited: 2011-06-13 Released: 2012-12-12
Deposition Author(s): Amacher, J.F., Madden, D.R.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.24 Å
R-Value Free: 0.193
R-Value Work: 0.180
R-Value Observed: 0.181

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

This is version 1.1 of the entry. See complete history.

Literature

A CAL Inhibitor with Single-PDZ Specificity Rescues deltaF508-CFTR

Cushing, P.R., Vouilleme, L., Amacher, J.F., Boisguerin, P., Madden, D.R.

To be published.

Macromolecule Content

Total Structure Weight: 25.44 kDa
Atom Count: 2,179
Modelled Residue Count: 227
Deposited Residue Count: 228
Unique protein chains: 2

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Tax1-binding protein 3	A, C	104	Homo sapiens	Mutation(s): 0 Gene Names: TAX1BP3, TIP1
UniProt & NIH Common Fund Data Resources
Find proteins for O14907 (Homo sapiens) Explore O14907 Go to UniProtKB: O14907
PHAROS: O14907 GTEx: ENSG00000213977
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	O14907
Sequence Annotations Expand
Reference Sequence

Find similar proteins by: Sequence | 3D Structure

Entity ID: 2
Molecule	Chains	Sequence Length	Organism	Details	Image
decameric peptide iCAL36	B, D	10	N/A	Mutation(s): 0
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
Sequence Annotations Expand
Reference Sequence

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.24 Å
R-Value Free: 0.193
R-Value Work: 0.180
R-Value Observed: 0.181
Space Group: P 1

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 26.97	α = 79.64
b = 34.088	β = 87.15
c = 66.861	γ = 89.97

Software Package:

Software Name	Purpose
HKL-2000	data collection
PHENIX	model building
PHENIX	refinement
XDS	data reduction
XSCALE	data scaling
PHENIX	phasing

Structure Validation

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Entry History

Deposition Data

Released Date: 2012-12-12

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 2012-12-12
Type: Initial release
Version 1.1: 2023-09-13
Changes: Data collection, Database references, Refinement description

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.