1S5H

Potassium Channel Kcsa-Fab Complex T75C mutant in K+


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.20 Å
  • R-Value Free: 0.240 
  • R-Value Work: 0.222 
  • R-Value Observed: 0.222 

Starting Model: experimental
View more details

wwPDB Validation   3D Report Full Report


Ligand Structure Quality Assessment 


This is version 1.6 of the entry. See complete history


Literature

A mutant KcsA K(+) channel with altered conduction properties and selectivity filter ion distribution.

Zhou, M.MacKinnon, R.

(2004) J Mol Biol 338: 839-846

  • DOI: https://doi.org/10.1016/j.jmb.2004.03.020
  • Primary Citation of Related Structures:  
    1S5H

  • PubMed Abstract: 

    The selectivity filter of K(+) channels is comprised of a linear queue of four equal-spaced ion-binding sites spanning a distance of 12A. Each site is formed of eight oxygen atoms from the protein. The first three sites, numbered 1-3 from the extracellular side, are made of exclusively main-chain carbonyl oxygen atoms. The fourth site, closest to the intracellular side, is made of four main-chain carbonyl oxygen atoms and four threonine side-chain hydroxyl oxygen atoms. Here we characterize the effects of mutating the threonine to cysteine on the distribution of ions in the selectivity filter and on the conduction of ions through the filter. The mutation influences the occupancy of K(+) at sites 2 and 4 and it reduces the maximum rate of conduction in the limit of high K(+) concentration. The mutation does not affect the conduction of Rb(+). These results can be understood in the context of a conduction mechanism in which a pair of K ions switch between energetically balanced 1,3 and 2,4 configurations.


  • Organizational Affiliation

    Howard Hughes Medical Institute and Laboratory of Molecular Neurobiology and Biophysics, Rockefeller University, New York, NY 10021, USA.


Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
ANTIBODY FAB FRAGMENT LIGHT CHAIN212Mus musculusMutation(s): 0 
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
Sequence Annotations
Expand
  • Reference Sequence
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 2
MoleculeChains Sequence LengthOrganismDetailsImage
ANTIBODY FAB FRAGMENT HEAVY CHAIN219Mus musculusMutation(s): 0 
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
Sequence Annotations
Expand
  • Reference Sequence
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 3
MoleculeChains Sequence LengthOrganismDetailsImage
Voltage-gated potassium channel124Streptomyces coelicolorStreptomyces lividans
This entity is chimeric
Mutation(s): 2 
Gene Names: KCSASKC1
Membrane Entity: Yes 
UniProt
Find proteins for P0A333 (Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145))
Explore P0A333 
Go to UniProtKB:  P0A333
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP0A333
Sequence Annotations
Expand
  • Reference Sequence
Small Molecules
Ligands 3 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
DGA
Query on DGA

Download Ideal Coordinates CCD File 
L [auth C]DIACYL GLYCEROL
C39 H76 O5
UHUSDOQQWJGJQS-QNGWXLTQSA-N
F09
Query on F09

Download Ideal Coordinates CCD File 
D [auth B]NONAN-1-OL
C9 H20 O
ZWRUINPWMLAQRD-UHFFFAOYSA-N
K
Query on K

Download Ideal Coordinates CCD File 
E [auth C]
F [auth C]
G [auth C]
H [auth C]
I [auth C]
E [auth C],
F [auth C],
G [auth C],
H [auth C],
I [auth C],
J [auth C],
K [auth C]
POTASSIUM ION
K
NPYPAHLBTDXSSS-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.20 Å
  • R-Value Free: 0.240 
  • R-Value Work: 0.222 
  • R-Value Observed: 0.222 
  • Space Group: I 4
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 154.705α = 90
b = 154.705β = 90
c = 75.927γ = 90
Software Package:
Software NamePurpose
CNSrefinement
HKL-2000data reduction
SCALEPACKdata scaling
CNSphasing

Structure Validation

View Full Validation Report



Ligand Structure Quality Assessment 


Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2004-05-18
    Type: Initial release
  • Version 1.1: 2008-04-29
    Changes: Version format compliance
  • Version 1.2: 2011-07-13
    Changes: Version format compliance
  • Version 1.3: 2011-11-16
    Changes: Atomic model
  • Version 1.4: 2021-10-27
    Changes: Database references, Derived calculations
  • Version 1.5: 2023-08-23
    Changes: Data collection, Refinement description
  • Version 1.6: 2024-11-20
    Changes: Structure summary