6EBG

Ohr (Organic Hydroperoxide Resistance protein) mutant - C60S interacting with dihydrolipoamide

PDB DOI: https://doi.org/10.2210/pdb6EBG/pdb

Classification: OXIDOREDUCTASE
Organism(s): Chromobacterium violaceum
Expression System: Escherichia coli BL21(DE3)
Mutation(s): Yes

Deposited: 2018-08-06 Released: 2020-02-05
Deposition Author(s): Domingos, R.M., Teixeira, R.D., Alegria, T.G.P., Vieira, P.S., Murakami, M.T., Netto, L.E.S.
Funding Organization(s): Brazilian National Council for Scientific and Technological Development (CNPq)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.15 Å
R-Value Free: 0.236
R-Value Work: 0.201
R-Value Observed: 0.202

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

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

Literature

Substrate and product-assisted catalysis: molecular aspects behind structural switches along Organic Hydroperoxide Resistance Protein catalytic cycle

Domingos, R.M., Teixeira, R.D., Zeida, A., Agudelo, W.A., Alegria, T.G.P., da Silva Neto, J.F., Vieira, P.S., Murakami, M.T., Farah, C.S., Estrin, D.A., Netto, L.E.S.

(2020) ACS Catal

DOI: https://doi.org/10.1021/acscatal.0c01257

Macromolecule Content

Total Structure Weight: 68.18 kDa
Atom Count: 4,215
Modelled Residue Count: 562
Deposited Residue Count: 644
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Organic hydroperoxide resistance protein	A, B, C, D	161	Chromobacterium violaceum	Mutation(s): 1 Gene Names: CBW21_15220
UniProt
Find proteins for Q7NV52 (Chromobacterium violaceum (strain ATCC 12472 / DSM 30191 / JCM 1249 / NBRC 12614 / NCIMB 9131 / NCTC 9757)) Explore Q7NV52 Go to UniProtKB: Q7NV52
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q7NV52
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
J3S Query on J3S Download Ideal Coordinates CCD File SDF format, chain E [auth A] SDF format, chain F [auth A] SDF format, chain G [auth C] SDF format, chain H [auth D] MOL2 format, chain E [auth A] MOL2 format, chain F [auth A] MOL2 format, chain G [auth C] MOL2 format, chain H [auth D]	E [auth A], F [auth A], G [auth C], H [auth D]	(6S)-6,8-disulfanyloctanamide C₈ H₁₇ N O S₂ VLYUGYAKYZETRF-ZETCQYMHSA-N		Interactions Focus chain E [auth A] Focus chain F [auth A] Focus chain G [auth C] Focus chain H [auth D] Interactions & Density Focus chain E [auth A] Focus chain F [auth A] Focus chain G [auth C] Focus chain H [auth D]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.15 Å
R-Value Free: 0.236
R-Value Work: 0.201
R-Value Observed: 0.202
Space Group: P 6₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 88.646	α = 90
b = 88.646	β = 90
c = 180.107	γ = 120

Software Package:

Software Name	Purpose
REFMAC	refinement
XDS	data reduction
Aimless	data scaling
PHASER	phasing

Structure Validation

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Ligand Structure Quality Assessment

Entry History & Funding Information

Deposition Data

Released Date: 2020-02-05

Deposition Author(s):

Funding Organization	Location	Grant Number
Brazilian National Council for Scientific and Technological Development (CNPq)	Brazil	FAPESP: 2013/07937-8

Revision History (Full details and data files)

Version 1.0: 2020-02-05
Type: Initial release
Version 1.1: 2020-05-27
Changes: Database references
Version 1.2: 2023-10-11
Changes: Data collection, Database references, Refinement description

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Help and Resources

6EBG

Ohr (Organic Hydroperoxide Resistance protein) mutant - C60S interacting with dihydrolipoamide

Substrate and product-assisted catalysis: molecular aspects behind structural switches along Organic Hydroperoxide Resistance Protein catalytic cycle

Entity ID: 1

UniProt

Entity Groups

Sequence Annotations

Expand

Experimental Data

Structure Validation

Ligand Structure Quality Assessment

Deposition Data

Revision History (Full details and data files)