4PL0
Crystal structure of the antibacterial peptide ABC transporter McjD in an outward occluded state
- PDB DOI: https://doi.org/10.2210/pdb4PL0/pdb
- Classification: TRANSPORT PROTEIN
- Organism(s): Escherichia coli
- Expression System: Escherichia coli K-12
- Mutation(s): No 
- Membrane Protein: Yes  OPMPDBTMMemProtMDmpstruc
- Deposited: 2014-05-15 Released: 2014-06-18 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.70 Å
- R-Value Free: 0.266 
- R-Value Work: 0.247 
- R-Value Observed: 0.248 
This is version 1.3 of the entry. See complete history. 
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
Microcin-J25 export ATP-binding/permease protein McjD | 580 | Escherichia coli | Mutation(s): 0  Gene Names: mcjD Membrane Entity: Yes  | ||
UniProt | |||||
Find proteins for Q9X2W0 (Escherichia coli) Explore Q9X2W0  Go to UniProtKB:  Q9X2W0 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q9X2W0 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
Ligands 3 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
ANP Query on ANP | C [auth A], F [auth B] | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER C10 H17 N6 O12 P3 PVKSNHVPLWYQGJ-KQYNXXCUSA-N | |||
BNG Query on BNG | E [auth A], H [auth B] | nonyl beta-D-glucopyranoside C15 H30 O6 QFAPUKLCALRPLH-UXXRCYHCSA-N | |||
MG Query on MG | D [auth A], G [auth B] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.70 Å
- R-Value Free: 0.266 
- R-Value Work: 0.247 
- R-Value Observed: 0.248 
- Space Group: P 21 21 21
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 80.83 | α = 90 |
b = 107.92 | β = 90 |
c = 232.96 | γ = 90 |
Software Name | Purpose |
---|---|
BUSTER | refinement |
HKL-2000 | data reduction |
HKL-2000 | data scaling |
PHASER | phasing |
Entry History 
Deposition Data
- Released Date: 2014-06-18  Deposition Author(s): Choudhury, H.G., Beis, K.
Revision History (Full details and data files)
- Version 1.0: 2014-06-18
Type: Initial release - Version 1.1: 2014-06-25
Changes: Database references - Version 1.2: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Structure summary - Version 1.3: 2023-12-20
Changes: Data collection, Database references, Refinement description, Structure summary