9IBA | pdb_00009iba

Crystal structure of Arr-2 in complex with Rifampicin

PDB DOI: https://doi.org/10.2210/pdb9IBA/pdb

Classification: TRANSFERASE
Organism(s): Pseudomonas aeruginosa
Expression System: Escherichia coli BL21(DE3)
Mutation(s): No

Deposited: 2025-02-12 Released: 2025-12-17
Deposition Author(s): Alaviuhkola, J., Abdulmajeed, S., Lehtio, L.
Funding Organization(s): Sigrid Juselius Foundation

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.40 Å
R-Value Free:
0.185 (Depositor), 0.184 (DCC)
R-Value Work:
0.143 (Depositor), 0.143 (DCC)

Starting Model: in silico
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wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

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

Literature

Crystal structure of Arr-2 in complex with Rifampicin

Alaviuhkola, J., Abdulmajeed, S., Lehtio, L.

To be published.

Macromolecule Content

Total Structure Weight: 18.69 kDa
Atom Count: 1,401
Modeled Residue Count: 145
Deposited Residue Count: 151
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
ARR-2	A	151	Pseudomonas aeruginosa	Mutation(s): 0 Gene Names: arr-2, arr2
UniProt
Find proteins for O87490 (Pseudomonas aeruginosa) Explore O87490 Go to UniProtKB: O87490
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	O87490
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
RFP (Subject of Investigation/LOI) Query on RFP Download Ideal Coordinates CCD File SDF format, chain B [auth A] SDF format, chain C [auth A] MOL2 format, chain B [auth A] MOL2 format, chain C [auth A] mmCIF format, chain B [auth A] mmCIF format, chain C [auth A]	B [auth A], C [auth A]	RIFAMPICIN C₄₃ H₅₈ N₄ O₁₂ JQXXHWHPUNPDRT-WLSIYKJHSA-N		Interactions Focus chain B [auth A] Focus chain C [auth A] Interactions & Density Focus chain B [auth A] Focus chain C [auth A]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.40 Å
R-Value Free: 0.185 (Depositor), 0.184 (DCC)
R-Value Work: 0.143 (Depositor), 0.143 (DCC)

Space Group: P 2₁ 2₁ 2₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 41.26	α = 90
b = 42.97	β = 90
c = 85.49	γ = 90

Software Package:

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

Structure Validation

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Ligand Structure Quality Assessment

Entry History & Funding Information

Deposition Data

Released Date: 2025-12-17

Deposition Author(s):

Alaviuhkola, J.

Abdulmajeed, S.

Funding Organization	Location	Grant Number
Sigrid Juselius Foundation	Finland	--

Revision History (Full details and data files)

Version 1.0: 2025-12-17
Type: Initial release

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.