5MZT

X-ray structure of the H235Q mutant of GLIC in complex with bromoform

PDB DOI: https://doi.org/10.2210/pdb5MZT/pdb

Classification: TRANSPORT PROTEIN
Organism(s): Gloeobacter violaceus PCC 7421
Expression System: Escherichia coli
Mutation(s): Yes
Membrane Protein: Yes PDBTMMemProtMDmpstruc

Deposited: 2017-02-01 Released: 2018-02-14
Deposition Author(s): Fourati, Z., Delarue, M.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.65 Å
R-Value Free: 0.211
R-Value Work: 0.193
R-Value Observed: 0.194

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.2 of the entry. See complete history.

Literature

X-ray structure of the H235Q mutant of GLIC in complex with bromoform

Fourati, Z., Delarue, M.

To be published.

Macromolecule Content

Total Structure Weight: 202.95 kDa
Atom Count: 13,638
Modelled Residue Count: 1,555
Deposited Residue Count: 1,635
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Proton-gated ion channel	A, B, C, D, E	327	Gloeobacter violaceus PCC 7421	Mutation(s): 1 Gene Names: glvI, glr4197 Membrane Entity: Yes
UniProt
Find proteins for Q7NDN8 (Gloeobacter violaceus (strain ATCC 29082 / PCC 7421)) Explore Q7NDN8 Go to UniProtKB: Q7NDN8
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q7NDN8
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 6 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
PLC Query on PLC Download Ideal Coordinates CCD File SDF format, chain AB [auth E] SDF format, chain BB [auth E] SDF format, chain FA [auth C] SDF format, chain G [auth A] SDF format, chain GA [auth C] SDF format, chain H [auth A] SDF format, chain HA [auth C] SDF format, chain I [auth A] SDF format, chain PA [auth D] SDF format, chain QA [auth D] SDF format, chain RA [auth D] SDF format, chain V [auth B] SDF format, chain W [auth B] SDF format, chain X [auth B] SDF format, chain ZA [auth E] MOL2 format, chain AB [auth E] MOL2 format, chain BB [auth E] MOL2 format, chain FA [auth C] MOL2 format, chain G [auth A] MOL2 format, chain GA [auth C] MOL2 format, chain H [auth A] MOL2 format, chain HA [auth C] MOL2 format, chain I [auth A] MOL2 format, chain PA [auth D] MOL2 format, chain QA [auth D] MOL2 format, chain RA [auth D] MOL2 format, chain V [auth B] MOL2 format, chain W [auth B] MOL2 format, chain X [auth B] MOL2 format, chain ZA [auth E] mmCIF format, chain AB [auth E] mmCIF format, chain BB [auth E] mmCIF format, chain FA [auth C] mmCIF format, chain G [auth A] mmCIF format, chain GA [auth C] mmCIF format, chain H [auth A] mmCIF format, chain HA [auth C] mmCIF format, chain I [auth A] mmCIF format, chain PA [auth D] mmCIF format, chain QA [auth D] mmCIF format, chain RA [auth D] mmCIF format, chain V [auth B] mmCIF format, chain W [auth B] mmCIF format, chain X [auth B] mmCIF format, chain ZA [auth E]	AB [auth E] BB [auth E] FA [auth C] G [auth A] GA [auth C] AB [auth E], BB [auth E], FA [auth C], G [auth A], GA [auth C], H [auth A], HA [auth C], I [auth A], PA [auth D], QA [auth D], RA [auth D], V [auth B], W [auth B], X [auth B], ZA [auth E]	DIUNDECYL PHOSPHATIDYL CHOLINE C₃₂ H₆₅ N O₈ P IJFVSSZAOYLHEE-SSEXGKCCSA-O		Interactions Focus chain AB [auth E] Focus chain BB [auth E] Focus chain FA [auth C] Focus chain G [auth A] Focus chain GA [auth C] Focus chain H [auth A] Focus chain HA [auth C] Focus chain I [auth A] Focus chain PA [auth D] Focus chain QA [auth D] Focus chain RA [auth D] Focus chain V [auth B] Focus chain W [auth B] Focus chain X [auth B] Focus chain ZA [auth E] Interactions & Density Focus chain AB [auth E] Focus chain BB [auth E] Focus chain FA [auth C] Focus chain G [auth A] Focus chain GA [auth C] Focus chain H [auth A] Focus chain HA [auth C] Focus chain I [auth A] Focus chain PA [auth D] Focus chain QA [auth D] Focus chain RA [auth D] Focus chain V [auth B] Focus chain W [auth B] Focus chain X [auth B] Focus chain ZA [auth E]
LMT Query on LMT Download Ideal Coordinates CCD File SDF format, chain BA [auth B] SDF format, chain FB [auth E] SDF format, chain LA [auth C] SDF format, chain P [auth A] SDF format, chain Q [auth A] SDF format, chain VA [auth D] MOL2 format, chain BA [auth B] MOL2 format, chain FB [auth E] MOL2 format, chain LA [auth C] MOL2 format, chain P [auth A] MOL2 format, chain Q [auth A] MOL2 format, chain VA [auth D] mmCIF format, chain BA [auth B] mmCIF format, chain FB [auth E] mmCIF format, chain LA [auth C] mmCIF format, chain P [auth A] mmCIF format, chain Q [auth A] mmCIF format, chain VA [auth D]	BA [auth B] FB [auth E] LA [auth C] P [auth A] Q [auth A] BA [auth B], FB [auth E], LA [auth C], P [auth A], Q [auth A], VA [auth D]	DODECYL-BETA-D-MALTOSIDE C₂₄ H₄₆ O₁₁ NLEBIOOXCVAHBD-QKMCSOCLSA-N		Interactions Focus chain BA [auth B] Focus chain FB [auth E] Focus chain LA [auth C] Focus chain P [auth A] Focus chain Q [auth A] Focus chain VA [auth D] Interactions & Density Focus chain BA [auth B] Focus chain FB [auth E] Focus chain LA [auth C] Focus chain P [auth A] Focus chain Q [auth A] Focus chain VA [auth D]
MBR Query on MBR Download Ideal Coordinates CCD File SDF format, chain DA [auth B] SDF format, chain GB [auth E] SDF format, chain R [auth A] SDF format, chain S [auth A] SDF format, chain T [auth A] SDF format, chain WA [auth D] SDF format, chain XA [auth D] SDF format, chain CA [auth B] SDF format, chain MA [auth C] SDF format, chain NA [auth C] MOL2 format, chain DA [auth B] MOL2 format, chain GB [auth E] MOL2 format, chain R [auth A] MOL2 format, chain S [auth A] MOL2 format, chain T [auth A] MOL2 format, chain WA [auth D] MOL2 format, chain XA [auth D] MOL2 format, chain CA [auth B] MOL2 format, chain MA [auth C] MOL2 format, chain NA [auth C] mmCIF format, chain DA [auth B] mmCIF format, chain GB [auth E] mmCIF format, chain R [auth A] mmCIF format, chain S [auth A] mmCIF format, chain T [auth A] mmCIF format, chain WA [auth D] mmCIF format, chain XA [auth D] mmCIF format, chain CA [auth B] mmCIF format, chain MA [auth C] mmCIF format, chain NA [auth C]	CA [auth B] DA [auth B] GB [auth E] MA [auth C] NA [auth C] CA [auth B], DA [auth B], GB [auth E], MA [auth C], NA [auth C], R [auth A], S [auth A], T [auth A], WA [auth D], XA [auth D]	TRIBROMOMETHANE C H Br₃ DIKBFYAXUHHXCS-UHFFFAOYSA-N		Interactions Focus chain CA [auth B] Focus chain DA [auth B] Focus chain GB [auth E] Focus chain MA [auth C] Focus chain NA [auth C] Focus chain R [auth A] Focus chain S [auth A] Focus chain T [auth A] Focus chain WA [auth D] Focus chain XA [auth D] Interactions & Density Focus chain CA [auth B] Focus chain DA [auth B] Focus chain GB [auth E] Focus chain MA [auth C] Focus chain NA [auth C] Focus chain R [auth A] Focus chain S [auth A] Focus chain T [auth A] Focus chain WA [auth D] Focus chain XA [auth D]
ACT Query on ACT Download Ideal Coordinates CCD File SDF format, chain AA [auth B] SDF format, chain EA [auth C] SDF format, chain EB [auth E] SDF format, chain F [auth A] SDF format, chain KA [auth C] SDF format, chain O [auth A] SDF format, chain OA [auth D] SDF format, chain U [auth B] SDF format, chain UA [auth D] SDF format, chain YA [auth E] MOL2 format, chain AA [auth B] MOL2 format, chain EA [auth C] MOL2 format, chain EB [auth E] MOL2 format, chain F [auth A] MOL2 format, chain KA [auth C] MOL2 format, chain O [auth A] MOL2 format, chain OA [auth D] MOL2 format, chain U [auth B] MOL2 format, chain UA [auth D] MOL2 format, chain YA [auth E] mmCIF format, chain AA [auth B] mmCIF format, chain EA [auth C] mmCIF format, chain EB [auth E] mmCIF format, chain F [auth A] mmCIF format, chain KA [auth C] mmCIF format, chain O [auth A] mmCIF format, chain OA [auth D] mmCIF format, chain U [auth B] mmCIF format, chain UA [auth D] mmCIF format, chain YA [auth E]	AA [auth B] EA [auth C] EB [auth E] F [auth A] KA [auth C] AA [auth B], EA [auth C], EB [auth E], F [auth A], KA [auth C], O [auth A], OA [auth D], U [auth B], UA [auth D], YA [auth E]	ACETATE ION C₂ H₃ O₂ QTBSBXVTEAMEQO-UHFFFAOYSA-M		Interactions Focus chain AA [auth B] Focus chain EA [auth C] Focus chain EB [auth E] Focus chain F [auth A] Focus chain KA [auth C] Focus chain O [auth A] Focus chain OA [auth D] Focus chain U [auth B] Focus chain UA [auth D] Focus chain YA [auth E] Interactions & Density Focus chain AA [auth B] Focus chain EA [auth C] Focus chain EB [auth E] Focus chain F [auth A] Focus chain KA [auth C] Focus chain O [auth A] Focus chain OA [auth D] Focus chain U [auth B] Focus chain UA [auth D] Focus chain YA [auth E]
CL Query on CL Download Ideal Coordinates CCD File SDF format, chain CB [auth E] SDF format, chain IA [auth C] SDF format, chain J [auth A] SDF format, chain K [auth A] SDF format, chain L [auth A] SDF format, chain SA [auth D] SDF format, chain Y [auth B] MOL2 format, chain CB [auth E] MOL2 format, chain IA [auth C] MOL2 format, chain J [auth A] MOL2 format, chain K [auth A] MOL2 format, chain L [auth A] MOL2 format, chain SA [auth D] MOL2 format, chain Y [auth B] mmCIF format, chain CB [auth E] mmCIF format, chain IA [auth C] mmCIF format, chain J [auth A] mmCIF format, chain K [auth A] mmCIF format, chain L [auth A] mmCIF format, chain SA [auth D] mmCIF format, chain Y [auth B]	CB [auth E] IA [auth C] J [auth A] K [auth A] L [auth A] CB [auth E], IA [auth C], J [auth A], K [auth A], L [auth A], SA [auth D], Y [auth B]	CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M		Interactions Focus chain CB [auth E] Focus chain IA [auth C] Focus chain J [auth A] Focus chain K [auth A] Focus chain L [auth A] Focus chain SA [auth D] Focus chain Y [auth B] Interactions & Density Focus chain CB [auth E] Focus chain IA [auth C] Focus chain J [auth A] Focus chain K [auth A] Focus chain L [auth A] Focus chain SA [auth D] Focus chain Y [auth B]
NA Query on NA Download Ideal Coordinates CCD File SDF format, chain DB [auth E] SDF format, chain JA [auth C] SDF format, chain M [auth A] SDF format, chain N [auth A] SDF format, chain TA [auth D] SDF format, chain Z [auth B] MOL2 format, chain DB [auth E] MOL2 format, chain JA [auth C] MOL2 format, chain M [auth A] MOL2 format, chain N [auth A] MOL2 format, chain TA [auth D] MOL2 format, chain Z [auth B] mmCIF format, chain DB [auth E] mmCIF format, chain JA [auth C] mmCIF format, chain M [auth A] mmCIF format, chain N [auth A] mmCIF format, chain TA [auth D] mmCIF format, chain Z [auth B]	DB [auth E] JA [auth C] M [auth A] N [auth A] TA [auth D] DB [auth E], JA [auth C], M [auth A], N [auth A], TA [auth D], Z [auth B]	SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N		Interactions Focus chain DB [auth E] Focus chain JA [auth C] Focus chain M [auth A] Focus chain N [auth A] Focus chain TA [auth D] Focus chain Z [auth B] Interactions & Density Focus chain DB [auth E] Focus chain JA [auth C] Focus chain M [auth A] Focus chain N [auth A] Focus chain TA [auth D] Focus chain Z [auth B]