9FRE | pdb_00009fre

CryoEM structure of human rho1 GABAA receptor in complex with THIP

PDB DOI: https://doi.org/10.2210/pdb9FRE/pdb
EM Map EMD-50712: EMDB EMDataResource

Classification: TRANSLOCASE
Organism(s): Homo sapiens
Expression System: Homo sapiens
Mutation(s): No

Deposited: 2024-06-18 Released: 2025-07-02
Deposition Author(s): Fan, C., Howard, R.J., Lindahl, E.
Funding Organization(s): Swedish Research Council

Experimental Data Snapshot

Method: ELECTRON MICROSCOPY
Resolution: 2.19 Å
Aggregation State: PARTICLE
Reconstruction Method: SINGLE PARTICLE

wwPDB Validation 3D Report Full Report

This is version 1.0 of the entry. See complete history.

Literature

Cryo-EM structures of Rho1 GABAA receptors with antagonist and agonist drugs

Fan, C., Cowgill, J., Howard, R.J., Lindahl, E.

To be published.

Macromolecule Content

Total Structure Weight: 287.27 kDa
Atom Count: 14,491
Modeled Residue Count: 1,670
Deposited Residue Count: 2,395
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Gamma-aminobutyric acid receptor subunit rho-1	A, B, C, D, E	479	Homo sapiens	Mutation(s): 0 Gene Names: GABRR1
UniProt & NIH Common Fund Data Resources
Find proteins for P24046 (Homo sapiens) Explore P24046 Go to UniProtKB: P24046
PHAROS: P24046 GTEx: ENSG00000146276
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P24046
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 7 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
NAG (Subject of Investigation/LOI) Query on NAG Download Ideal Coordinates CCD File SDF format, chain AB [auth E] SDF format, chain BB [auth E] SDF format, chain DA [auth C] SDF format, chain EA [auth C] SDF format, chain G [auth A] SDF format, chain H [auth A] SDF format, chain PA [auth D] SDF format, chain QA [auth D] SDF format, chain T [auth B] SDF format, chain U [auth B] MOL2 format, chain AB [auth E] MOL2 format, chain BB [auth E] MOL2 format, chain DA [auth C] MOL2 format, chain EA [auth C] MOL2 format, chain G [auth A] MOL2 format, chain H [auth A] MOL2 format, chain PA [auth D] MOL2 format, chain QA [auth D] MOL2 format, chain T [auth B] MOL2 format, chain U [auth B] mmCIF format, chain AB [auth E] mmCIF format, chain BB [auth E] mmCIF format, chain DA [auth C] mmCIF format, chain EA [auth C] mmCIF format, chain G [auth A] mmCIF format, chain H [auth A] mmCIF format, chain PA [auth D] mmCIF format, chain QA [auth D] mmCIF format, chain T [auth B] mmCIF format, chain U [auth B]	AB [auth E] BB [auth E] DA [auth C] EA [auth C] G [auth A] AB [auth E], BB [auth E], DA [auth C], EA [auth C], G [auth A], H [auth A], PA [auth D], QA [auth D], T [auth B], U [auth B]	2-acetamido-2-deoxy-beta-D-glucopyranose C₈ H₁₅ N O₆ OVRNDRQMDRJTHS-FMDGEEDCSA-N		Interactions Focus chain AB [auth E] Focus chain BB [auth E] Focus chain DA [auth C] Focus chain EA [auth C] Focus chain G [auth A] Focus chain H [auth A] Focus chain PA [auth D] Focus chain QA [auth D] Focus chain T [auth B] Focus chain U [auth B] Interactions & Density Focus chain AB [auth E] Focus chain BB [auth E] Focus chain DA [auth C] Focus chain EA [auth C] Focus chain G [auth A] Focus chain H [auth A] Focus chain PA [auth D] Focus chain QA [auth D] Focus chain T [auth B] Focus chain U [auth B]
D12 Query on D12 Download Ideal Coordinates CCD File SDF format, chain BA [auth B] SDF format, chain IB [auth E] SDF format, chain LA [auth C] SDF format, chain O [auth A] SDF format, chain XA [auth D] MOL2 format, chain BA [auth B] MOL2 format, chain IB [auth E] MOL2 format, chain LA [auth C] MOL2 format, chain O [auth A] MOL2 format, chain XA [auth D] mmCIF format, chain BA [auth B] mmCIF format, chain IB [auth E] mmCIF format, chain LA [auth C] mmCIF format, chain O [auth A] mmCIF format, chain XA [auth D]	BA [auth B], IB [auth E], LA [auth C], O [auth A], XA [auth D]	DODECANE C₁₂ H₂₆ SNRUBQQJIBEYMU-UHFFFAOYSA-N		Interactions Focus chain BA [auth B] Focus chain IB [auth E] Focus chain LA [auth C] Focus chain O [auth A] Focus chain XA [auth D] Interactions & Density Focus chain BA [auth B] Focus chain IB [auth E] Focus chain LA [auth C] Focus chain O [auth A] Focus chain XA [auth D]
D10 Query on D10 Download Ideal Coordinates CCD File SDF format, chain AA [auth B] SDF format, chain CA [auth C] SDF format, chain HB [auth E] SDF format, chain KA [auth C] SDF format, chain N [auth A] SDF format, chain OA [auth D] SDF format, chain Q [auth A] SDF format, chain R [auth B] SDF format, chain WA [auth D] SDF format, chain ZA [auth E] MOL2 format, chain AA [auth B] MOL2 format, chain CA [auth C] MOL2 format, chain HB [auth E] MOL2 format, chain KA [auth C] MOL2 format, chain N [auth A] MOL2 format, chain OA [auth D] MOL2 format, chain Q [auth A] MOL2 format, chain R [auth B] MOL2 format, chain WA [auth D] MOL2 format, chain ZA [auth E] mmCIF format, chain AA [auth B] mmCIF format, chain CA [auth C] mmCIF format, chain HB [auth E] mmCIF format, chain KA [auth C] mmCIF format, chain N [auth A] mmCIF format, chain OA [auth D] mmCIF format, chain Q [auth A] mmCIF format, chain R [auth B] mmCIF format, chain WA [auth D] mmCIF format, chain ZA [auth E]	AA [auth B] CA [auth C] HB [auth E] KA [auth C] N [auth A] AA [auth B], CA [auth C], HB [auth E], KA [auth C], N [auth A], OA [auth D], Q [auth A], R [auth B], WA [auth D], ZA [auth E]	DECANE C₁₀ H₂₂ DIOQZVSQGTUSAI-UHFFFAOYSA-N		Interactions Focus chain AA [auth B] Focus chain CA [auth C] Focus chain HB [auth E] Focus chain KA [auth C] Focus chain N [auth A] Focus chain OA [auth D] Focus chain Q [auth A] Focus chain R [auth B] Focus chain WA [auth D] Focus chain ZA [auth E] Interactions & Density Focus chain AA [auth B] Focus chain CA [auth C] Focus chain HB [auth E] Focus chain KA [auth C] Focus chain N [auth A] Focus chain OA [auth D] Focus chain Q [auth A] Focus chain R [auth B] Focus chain WA [auth D] Focus chain ZA [auth E]
EI7 Query on EI7 Download Ideal Coordinates CCD File SDF format, chain F [auth A] SDF format, chain NA [auth D] SDF format, chain P [auth A] SDF format, chain S [auth B] SDF format, chain YA [auth E] MOL2 format, chain F [auth A] MOL2 format, chain NA [auth D] MOL2 format, chain P [auth A] MOL2 format, chain S [auth B] MOL2 format, chain YA [auth E] mmCIF format, chain F [auth A] mmCIF format, chain NA [auth D] mmCIF format, chain P [auth A] mmCIF format, chain S [auth B] mmCIF format, chain YA [auth E]	F [auth A], NA [auth D], P [auth A], S [auth B], YA [auth E]	4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one C₆ H₈ N₂ O₂ ZXRVKCBLGJOCEE-UHFFFAOYSA-N		Interactions Focus chain F [auth A] Focus chain NA [auth D] Focus chain P [auth A] Focus chain S [auth B] Focus chain YA [auth E] Interactions & Density Focus chain F [auth A] Focus chain NA [auth D] Focus chain P [auth A] Focus chain S [auth B] Focus chain YA [auth E]
OCT Query on OCT Download Ideal Coordinates CCD File SDF format, chain FB [auth E] SDF format, chain IA [auth C] SDF format, chain L [auth A] SDF format, chain UA [auth D] SDF format, chain Y [auth B] MOL2 format, chain FB [auth E] MOL2 format, chain IA [auth C] MOL2 format, chain L [auth A] MOL2 format, chain UA [auth D] MOL2 format, chain Y [auth B] mmCIF format, chain FB [auth E] mmCIF format, chain IA [auth C] mmCIF format, chain L [auth A] mmCIF format, chain UA [auth D] mmCIF format, chain Y [auth B]	FB [auth E], IA [auth C], L [auth A], UA [auth D], Y [auth B]	N-OCTANE C₈ H₁₈ TVMXDCGIABBOFY-UHFFFAOYSA-N		Interactions Focus chain FB [auth E] Focus chain IA [auth C] Focus chain L [auth A] Focus chain UA [auth D] Focus chain Y [auth B] Interactions & Density Focus chain FB [auth E] Focus chain IA [auth C] Focus chain L [auth A] Focus chain UA [auth D] Focus chain Y [auth B]
HEX Query on HEX Download Ideal Coordinates CCD File SDF format, chain CB [auth E] SDF format, chain DB [auth E] SDF format, chain EB [auth E] SDF format, chain FA [auth C] SDF format, chain GA [auth C] SDF format, chain GB [auth E] SDF format, chain HA [auth C] SDF format, chain I [auth A] SDF format, chain J [auth A] SDF format, chain JA [auth C] SDF format, chain K [auth A] SDF format, chain M [auth A] SDF format, chain RA [auth D] SDF format, chain SA [auth D] SDF format, chain TA [auth D] SDF format, chain V [auth B] SDF format, chain VA [auth D] SDF format, chain W [auth B] SDF format, chain X [auth B] SDF format, chain Z [auth B] MOL2 format, chain CB [auth E] MOL2 format, chain DB [auth E] MOL2 format, chain EB [auth E] MOL2 format, chain FA [auth C] MOL2 format, chain GA [auth C] MOL2 format, chain GB [auth E] MOL2 format, chain HA [auth C] MOL2 format, chain I [auth A] MOL2 format, chain J [auth A] MOL2 format, chain JA [auth C] MOL2 format, chain K [auth A] MOL2 format, chain M [auth A] MOL2 format, chain RA [auth D] MOL2 format, chain SA [auth D] MOL2 format, chain TA [auth D] MOL2 format, chain V [auth B] MOL2 format, chain VA [auth D] MOL2 format, chain W [auth B] MOL2 format, chain X [auth B] MOL2 format, chain Z [auth B] mmCIF format, chain CB [auth E] mmCIF format, chain DB [auth E] mmCIF format, chain EB [auth E] mmCIF format, chain FA [auth C] mmCIF format, chain GA [auth C] mmCIF format, chain GB [auth E] mmCIF format, chain HA [auth C] mmCIF format, chain I [auth A] mmCIF format, chain J [auth A] mmCIF format, chain JA [auth C] mmCIF format, chain K [auth A] mmCIF format, chain M [auth A] mmCIF format, chain RA [auth D] mmCIF format, chain SA [auth D] mmCIF format, chain TA [auth D] mmCIF format, chain V [auth B] mmCIF format, chain VA [auth D] mmCIF format, chain W [auth B] mmCIF format, chain X [auth B] mmCIF format, chain Z [auth B]	CB [auth E] DB [auth E] EB [auth E] FA [auth C] GA [auth C] CB [auth E], DB [auth E], EB [auth E], FA [auth C], GA [auth C], GB [auth E], HA [auth C], I [auth A], J [auth A], JA [auth C], K [auth A], M [auth A], RA [auth D], SA [auth D], TA [auth D], V [auth B], VA [auth D], W [auth B], X [auth B], Z [auth B]	HEXANE C₆ H₁₄ VLKZOEOYAKHREP-UHFFFAOYSA-N		Interactions Focus chain CB [auth E] Focus chain DB [auth E] Focus chain EB [auth E] Focus chain FA [auth C] Focus chain GA [auth C] Focus chain GB [auth E] Focus chain HA [auth C] Focus chain I [auth A] Focus chain J [auth A] Focus chain JA [auth C] Focus chain K [auth A] Focus chain M [auth A] Focus chain RA [auth D] Focus chain SA [auth D] Focus chain TA [auth D] Focus chain V [auth B] Focus chain VA [auth D] Focus chain W [auth B] Focus chain X [auth B] Focus chain Z [auth B] Interactions & Density Focus chain CB [auth E] Focus chain DB [auth E] Focus chain EB [auth E] Focus chain FA [auth C] Focus chain GA [auth C] Focus chain GB [auth E] Focus chain HA [auth C] Focus chain I [auth A] Focus chain J [auth A] Focus chain JA [auth C] Focus chain K [auth A] Focus chain M [auth A] Focus chain RA [auth D] Focus chain SA [auth D] Focus chain TA [auth D] Focus chain V [auth B] Focus chain VA [auth D] Focus chain W [auth B] Focus chain X [auth B] Focus chain Z [auth B]
CL Query on CL Download Ideal Coordinates CCD File SDF format, chain MA [auth C] MOL2 format, chain MA [auth C] mmCIF format, chain MA [auth C]	MA [auth C]	CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M		Interactions Focus chain MA [auth C] Interactions & Density Focus chain MA [auth C]