Download MendeleyStructure of an oxygenase in complex with substrate
Scotti, J.S.To be published.
4NR1
Factor inhibiting HIF-1 alpha in complex with consensus ankyrin repeat domain-(d)allyl-GLY peptide
- PDB DOI: https://doi.org/10.2210/pdb4NR1/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2013-11-26 Released: 2015-01-21
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.68 Å
- R-Value Free: 0.210
- R-Value Work: 0.164
Starting Model: experimental
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wwPDB Validation 3D Report Full Report
This is version 1.3 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Hypoxia-inducible factor 1-alpha inhibitor | 352 | Homo sapiens | Mutation(s): 0 Gene Names: FIH1, HIF1AN EC: 1.14.11.30 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q9NWT6 (Homo sapiens) Explore Q9NWT6 Go to UniProtKB: Q9NWT6 | |||||
PHAROS: Q9NWT6 GTEx: ENSG00000166135 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9NWT6 | ||||
Sequence AnnotationsExpand | |||||
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Find similar proteins by: Sequence | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| CONSENSUS ANKYRIN REPEAT DOMAIN-(D)allyl glycine | B [auth S] | 20 | N/A | Mutation(s): 0 |  |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| OGA Query on OGA | D [auth A] | N-OXALYLGLYCINE C4 H5 N O5 BIMZLRFONYSTPT-UHFFFAOYSA-N |  | ||
| SO4 Query on SO4 | E [auth A], F [auth A], G [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| ZN Query on ZN | C [auth A] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.68 Å
- R-Value Free: 0.210
- R-Value Work: 0.164
- Space Group: P 41 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 86.37 | α = 90 |
| b = 86.37 | β = 90 |
| c = 148.72 | γ = 90 |
| Software Name | Purpose |
|---|---|
| SCALA | data scaling |
| PHASER | phasing |
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| GDA | data collection |
| pointless | data scaling |
Entry History
Deposition Data
- Released Date: 2015-01-21 Deposition Author(s): Scotti, J.S., McDonough, M.A., Schofield, C.J.
Revision History (Full details and data files)
- Version 1.0: 2015-01-21
Type: Initial release - Version 1.1: 2023-09-20
Changes: Data collection, Database references, Derived calculations, Refinement description - Version 1.2: 2023-12-06
Changes: Data collection, Derived calculations - Version 1.3: 2024-10-30
Changes: Structure summary
