Download MendeleyCrystal structure of Arr in complex with Rifampicin and Chr-16
Alaviuhkola, J., Abdulmajeed, S., Lehtio, L.To be published.
9IAF | pdb_00009iaf
Crystal structure of Arr in complex with Rifampicin and Chr-16
- PDB DOI: https://doi.org/10.2210/pdb9IAF/pdb
- Classification: TRANSFERASE
- Organism(s): Mycolicibacterium smegmatis
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2025-02-10 Released: 2025-12-17
- Funding Organization(s): Sigrid Juselius Foundation
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 Å
- R-Value Free: 0.250 (Depositor), 0.215 (DCC)
- R-Value Work: 0.187 (Depositor), 0.199 (DCC)
Starting Model: experimental
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This is version 1.0 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Rifampin ADP-ribosyl transferase | 143 | Mycolicibacterium smegmatis | Mutation(s): 2 Gene Names: BIN_B_03083 |  | |
UniProt | |||||
Find proteins for A0A653FGA6 (Mycolicibacterium smegmatis) Explore A0A653FGA6 Go to UniProtKB: A0A653FGA6 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A0A653FGA6 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| RFP Query on RFP | C [auth A] | RIFAMPICIN C43 H58 N4 O12 JQXXHWHPUNPDRT-WLSIYKJHSA-N |  | ||
| A1I1V (Subject of Investigation/LOI) Query on A1I1V | B [auth A] | 2-amino-6-chloro-3-phenyl-1H-quinolin-4-one C15 H11 Cl N2 O BQEKTAOKRNWDNE-UHFFFAOYSA-N |  | ||
| DMS Query on DMS | D [auth A] | DIMETHYL SULFOXIDE C2 H6 O S IAZDPXIOMUYVGZ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 Å
- R-Value Free: 0.250 (Depositor), 0.215 (DCC)
- R-Value Work: 0.187 (Depositor), 0.199 (DCC)
Diffraction Data: https://doi.org/10.23729/a14040e9-f046-42c5-b7ab-7d9c53dc0bae
Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 56.22 | α = 90 |
| b = 60.76 | β = 93.485 |
| c = 45.55 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| XDS | data reduction |
| XSCALE | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2025-12-17 Deposition Author(s): Alaviuhkola, J., Abdulmajeed, S., Lehtio, L.
| 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
