Download MendeleyCrystal Structure of E. coli Aminopeptidase N in complex with Beta Alanine
Addlagatta, A., Gumpena, R.To be published.
4XN9
Crystal Structure of E. coli Aminopeptidase N in complex with Beta Alanine
- PDB DOI: https://doi.org/10.2210/pdb4XN9/pdb
- Classification: HYDROLASE
- Organism(s): Escherichia coli K-12
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2015-01-15 Released: 2016-03-02
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.80 Å
- R-Value Free: 0.195
- R-Value Work: 0.134
- R-Value Observed: 0.137
Starting Model: experimental
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wwPDB Validation 3D Report Full Report
This is version 1.1 of the entry. See complete history.
Literature
To be published.
Macromolecules
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(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Aminopeptidase N | 866 | Escherichia coli K-12 | Mutation(s): 0 Gene Names: pepN, b0932, JW0915 EC: 3.4.11.2 |  | |
UniProt | |||||
Find proteins for P04825 (Escherichia coli (strain K12)) Explore P04825 Go to UniProtKB: P04825 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P04825 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MLI Query on MLI | F [auth A], G [auth A] | MALONATE ION C3 H2 O4 OFOBLEOULBTSOW-UHFFFAOYSA-L |  | ||
| BAL Query on BAL | C [auth A] | BETA-ALANINE C3 H7 N O2 UCMIRNVEIXFBKS-UHFFFAOYSA-N |  | ||
| ZN Query on ZN | B [auth A] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
| NA Query on NA | D [auth A], E [auth A] | SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.80 Å
- R-Value Free: 0.195
- R-Value Work: 0.134
- R-Value Observed: 0.137
- Space Group: P 31 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 120.884 | α = 90 |
| b = 120.884 | β = 90 |
| c = 170.379 | γ = 120 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
| MOLREP | phasing |
Entry History
Deposition Data
- Released Date: 2016-03-02 Deposition Author(s): Addlagatta, A., Gumpena, R.
Revision History (Full details and data files)
- Version 1.0: 2016-03-02
Type: Initial release - Version 1.1: 2023-11-08
Changes: Data collection, Database references, Derived calculations, Refinement description
