Download MendeleyIPNS H270N variant in complex with Fe and ACV under anaerobic conditions
Rabe, P., Schofield, C.J.To be published.
8BBA
IPNS H270N variant in complex with Fe and ACV under anaerobic conditions
- PDB DOI: https://doi.org/10.2210/pdb8BBA/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Aspergillus nidulans FGSC A4
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2022-10-12 Released: 2023-10-25
- Funding Organization(s): Biotechnology and Biological Sciences Research Council (BBSRC)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.50 ?
- R-Value Free: 0.207
- R-Value Work: 0.171
- R-Value Observed: 0.173
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 |
| Isopenicillin N synthase | 331 | Aspergillus nidulans FGSC A4 | Mutation(s): 1 Gene Names: ipnA, ips, AN2622 EC: 1.21.3.1 |  | |
UniProt | |||||
Find proteins for P05326 (Emericella nidulans (strain FGSC A4 / ATCC 38163 / CBS 112.46 / NRRL 194 / M139)) Explore P05326 Go to UniProtKB: P05326 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P05326 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| ACV (Subject of Investigation/LOI) Query on ACV | E [auth A] | L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE C14 H25 N3 O6 S BYEIJZFKOAXBBV-ATZCPNFKSA-N |  | ||
| SO4 Query on SO4 | B [auth A], C [auth A], D [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| FE (Subject of Investigation/LOI) Query on FE | F [auth A] | FE (III) ION Fe VTLYFUHAOXGGBS-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.50 ?
- R-Value Free: 0.207
- R-Value Work: 0.171
- R-Value Observed: 0.173
- Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 41.178 | ¦Á = 90 |
| b = 74.761 | ¦Â = 90 |
| c = 101.136 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| DIALS | data reduction |
| DIALS | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2023-10-25 Deposition Author(s): Rabe, P., Schofield, C.J.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Biotechnology and Biological Sciences Research Council (BBSRC) | United Kingdom | BB/V001892/1 |
Revision History (Full details and data files)
- Version 1.0: 2023-10-25
Type: Initial release
