4WAV

Crystal Structure of Haloquadratum walsbyi bacteriorhodopsin mutant D93N

PDB DOI: https://doi.org/10.2210/pdb4WAV/pdb

Classification: TRANSPORT PROTEIN
Organism(s): Haloquadratum walsbyi C23
Expression System: Escherichia coli
Mutation(s): Yes
Membrane Protein: Yes OPMPDBTMMemProtMD

Deposited: 2014-09-02 Released: 2015-09-23
Deposition Author(s): Wang, A.H.J., Hsu, M.F., Yang, C.S., Fu, H.Y.
Funding Organization(s): National Science Council

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.80 ?
R-Value Free: 0.239
R-Value Work: 0.182
R-Value Observed: 0.184

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

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

Literature

Crystal structure of an acid-tolerant light-driven proton pump at 1.85 Angstroms resolution

Hsu, M.F., Fu, H.Y., Cai, C.J., Yi, S.P., Yang, C.S., Wang, A.H.J.

To be published.

Macromolecule Content

Total Structure Weight: 58.29 kDa
Atom Count: 3,750
Modelled Residue Count: 453
Deposited Residue Count: 524
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Bacteriorhodopsin-I	A, B	262	Haloquadratum walsbyi C23	Mutation(s): 1 Gene Names: bop1, Hqrw_1016 Membrane Entity: Yes
UniProt
Find proteins for G0LFX8 (Haloquadratum walsbyi (strain DSM 16854 / JCM 12705 / C23)) Explore G0LFX8 Go to UniProtKB: G0LFX8
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	G0LFX8
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 2 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
MPG Query on MPG Download Ideal Coordinates CCD File SDF format, chain D [auth A] SDF format, chain E [auth A] MOL2 format, chain D [auth A] MOL2 format, chain E [auth A] mmCIF format, chain D [auth A] mmCIF format, chain E [auth A]	D [auth A], E [auth A]	[(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate C₂₁ H₄₀ O₄ JPJYKWFFJCWMPK-GDCKJWNLSA-N		Interactions Focus chain D [auth A] Focus chain E [auth A] Interactions & Density Focus chain D [auth A] Focus chain E [auth A]
RET Query on RET Download Ideal Coordinates CCD File SDF format, chain C [auth A] SDF format, chain F [auth B] MOL2 format, chain C [auth A] MOL2 format, chain F [auth B] mmCIF format, chain C [auth A] mmCIF format, chain F [auth B]	C [auth A], F [auth B]	RETINAL C₂₀ H₂₈ O NCYCYZXNIZJOKI-OVSJKPMPSA-N		Interactions Focus chain C [auth A] Focus chain F [auth B] Interactions & Density Focus chain C [auth A] Focus chain F [auth B]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.80 ?
R-Value Free: 0.239
R-Value Work: 0.182
R-Value Observed: 0.184
Space Group: C 2 2 2₁

Unit Cell:

Length ( ? )	Angle ( ? )
a = 29.86	α = 90
b = 131.942	β = 90
c = 235.423	γ = 90

Software Package:

Software Name	Purpose
REFMAC	refinement
Blu-Ice	data reduction
MOLREP	phasing
PDB_EXTRACT	data extraction
HKL-2000	data scaling
HKL	data reduction
HKL	data scaling

Structure Validation

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Ligand Structure Quality Assessment

Entry History & Funding Information

Deposition Data

Released Date: 2015-09-23

Deposition Author(s):

Funding Organization	Location	Grant Number
National Science Council	Taiwan	NSC 102-2319-B-001-003

Revision History (Full details and data files)

Version 1.0: 2015-09-23
Type: Initial release
Version 1.1: 2023-11-08
Changes: Advisory, Data collection, Database references, Derived calculations, Refinement description, Structure summary
Version 1.2: 2024-10-16
Changes: Structure summary

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4WAV

Crystal Structure of Haloquadratum walsbyi bacteriorhodopsin mutant D93N

Crystal structure of an acid-tolerant light-driven proton pump at 1.85 Angstroms resolution

Entity ID: 1

UniProt

Entity Groups

Sequence Annotations

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Experimental Data

Structure Validation

Ligand Structure Quality Assessment

Deposition Data

Revision History (Full details and data files)