4GX2

GsuK channel bound to NAD

PDB DOI: https://doi.org/10.2210/pdb4GX2/pdb

Classification: TRANSPORT PROTEIN
Organism(s): Geobacter sulfurreducens PCA
Expression System: Escherichia coli BL21(DE3)
Mutation(s): Yes
Membrane Protein: Yes PDBTMMemProtMDmpstruc

Deposited: 2012-09-03 Released: 2012-12-26
Deposition Author(s): Kong, C., Zeng, W., Ye, S., Chen, L., Sauer, D.B., Lam, Y., Derebe, M.G., Jiang, Y.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 3.20 Å
R-Value Free: 0.270
R-Value Work: 0.230
R-Value Observed: 0.232

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

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

Literature

Distinct gating mechanisms revealed by the structures of a multi-ligand gated K(+) channel.

Kong, C., Zeng, W., Ye, S., Chen, L., Sauer, D.B., Lam, Y., Derebe, M.G., Jiang, Y.

(2012) Elife 1: e00184-e00184

PubMed: 23240087 Search on PubMedSearch on PubMed Central
DOI: https://doi.org/10.7554/eLife.00184
Primary Citation of Related Structures:
4GVL, 4GX0, 4GX1, 4GX2, 4GX5

PubMed Abstract:
The gating ring-forming RCK domain regulates channel gating in response to various cellular chemical stimuli in eukaryotic Slo channel families and the majority of ligand-gated prokaryotic K(+) channels and transporters. Here we present structural and functional studies of a dual RCK-containing, multi-ligand gated K(+) channel from Geobacter sulfurreducens, named GsuK. We demonstrate that ADP and NAD(+) activate the GsuK channel, whereas Ca(2+) serves as an allosteric inhibitor. Multiple crystal structures elucidate the structural basis of multi-ligand gating in GsuK, and also reveal a unique ion conduction pore with segmented inner helices. Structural comparison leads us to propose a novel pore opening mechanics that is distinct from other K(+) channels.DOI:http://dx.doi.org/10.7554/eLife.00184.001.

Organizational Affiliation

Department of Physiology , University of Texas Southwestern Medical Center , Dallas , United States.

Macromolecule Content

Total Structure Weight: 251.06 kDa
Atom Count: 14,511
Modelled Residue Count: 1,846
Deposited Residue Count: 2,260
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
TrkA domain protein	A, B, C, D	565	Geobacter sulfurreducens PCA	Mutation(s): 3 Gene Names: GSU0527 Membrane Entity: Yes
UniProt
Find proteins for Q74FS9 (Geobacter sulfurreducens (strain ATCC 51573 / DSM 12127 / PCA)) Explore Q74FS9 Go to UniProtKB: Q74FS9
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q74FS9
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 5 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
NAD Query on NAD Download Ideal Coordinates CCD File SDF format, chain AA [auth C] SDF format, chain DA [auth D] SDF format, chain L [auth A] SDF format, chain Q [auth B] MOL2 format, chain AA [auth C] MOL2 format, chain DA [auth D] MOL2 format, chain L [auth A] MOL2 format, chain Q [auth B]	AA [auth C], DA [auth D], L [auth A], Q [auth B]	NICOTINAMIDE-ADENINE-DINUCLEOTIDE C₂₁ H₂₇ N₇ O₁₄ P₂ BAWFJGJZGIEFAR-NNYOXOHSSA-N		Interactions Focus chain AA [auth C] Focus chain DA [auth D] Focus chain L [auth A] Focus chain Q [auth B] Interactions & Density Focus chain AA [auth C] Focus chain DA [auth D] Focus chain L [auth A] Focus chain Q [auth B]
PO4 Query on PO4 Download Ideal Coordinates CCD File SDF format, chain P [auth B] SDF format, chain Z [auth C] MOL2 format, chain P [auth B] MOL2 format, chain Z [auth C]	P [auth B], Z [auth C]	PHOSPHATE ION O₄ P NBIIXXVUZAFLBC-UHFFFAOYSA-K		Interactions Focus chain P [auth B] Focus chain Z [auth C] Interactions & Density Focus chain P [auth B] Focus chain Z [auth C]
ZN Query on ZN Download Ideal Coordinates CCD File SDF format, chain CA [auth D] SDF format, chain J [auth A] SDF format, chain N [auth B] SDF format, chain W [auth C] MOL2 format, chain CA [auth D] MOL2 format, chain J [auth A] MOL2 format, chain N [auth B] MOL2 format, chain W [auth C]	CA [auth D], J [auth A], N [auth B], W [auth C]	ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N		Interactions Focus chain CA [auth D] Focus chain J [auth A] Focus chain N [auth B] Focus chain W [auth C] Interactions & Density Focus chain CA [auth D] Focus chain J [auth A] Focus chain N [auth B] Focus chain W [auth C]
CA Query on CA Download Ideal Coordinates CCD File SDF format, chain K [auth A] SDF format, chain O [auth B] SDF format, chain X [auth C] SDF format, chain Y [auth C] MOL2 format, chain K [auth A] MOL2 format, chain O [auth B] MOL2 format, chain X [auth C] MOL2 format, chain Y [auth C]	K [auth A], O [auth B], X [auth C], Y [auth C]	CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N		Interactions Focus chain K [auth A] Focus chain O [auth B] Focus chain X [auth C] Focus chain Y [auth C] Interactions & Density Focus chain K [auth A] Focus chain O [auth B] Focus chain X [auth C] Focus chain Y [auth C]
K Query on K Download Ideal Coordinates CCD File SDF format, chain BA [auth D] SDF format, chain E [auth A] SDF format, chain F [auth A] SDF format, chain G [auth A] SDF format, chain H [auth A] SDF format, chain I [auth A] SDF format, chain M [auth B] SDF format, chain R [auth C] SDF format, chain S [auth C] SDF format, chain T [auth C] SDF format, chain U [auth C] SDF format, chain V [auth C] MOL2 format, chain BA [auth D] MOL2 format, chain E [auth A] MOL2 format, chain F [auth A] MOL2 format, chain G [auth A] MOL2 format, chain H [auth A] MOL2 format, chain I [auth A] MOL2 format, chain M [auth B] MOL2 format, chain R [auth C] MOL2 format, chain S [auth C] MOL2 format, chain T [auth C] MOL2 format, chain U [auth C] MOL2 format, chain V [auth C]	BA [auth D] E [auth A] F [auth A] G [auth A] H [auth A] BA [auth D], E [auth A], F [auth A], G [auth A], H [auth A], I [auth A], M [auth B], R [auth C], S [auth C], T [auth C], U [auth C], V [auth C]	POTASSIUM ION K NPYPAHLBTDXSSS-UHFFFAOYSA-N		Interactions Focus chain BA [auth D] Focus chain E [auth A] Focus chain F [auth A] Focus chain G [auth A] Focus chain H [auth A] Focus chain I [auth A] Focus chain M [auth B] Focus chain R [auth C] Focus chain S [auth C] Focus chain T [auth C] Focus chain U [auth C] Focus chain V [auth C] Interactions & Density Focus chain BA [auth D] Focus chain E [auth A] Focus chain F [auth A] Focus chain G [auth A] Focus chain H [auth A] Focus chain I [auth A] Focus chain M [auth B] Focus chain R [auth C] Focus chain S [auth C] Focus chain T [auth C] Focus chain U [auth C] Focus chain V [auth C]