Download MendeleyTWO DIMENSIONAL NMR AND X-RAY ANALYSIS OF CYP119 LIGAND-DEPENDENT CONFORMATIONAL DYNAMICS.
Basudhar, D., Madrona, Y., Kandel, S., Lampe, J.N., Ortiz de Montellano, P.To be published.
4WQJ
Crystal Structure of CYP119 from Sulfolobus acidocaldarius, Collected at 298K and Complexed with 4-(4-bromophenyl)-1H imidazole
- PDB DOI: https://doi.org/10.2210/pdb4WQJ/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Sulfolobus acidocaldarius DSM 639
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2014-10-22 Released: 2015-02-18
- Funding Organization(s): National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.70 Å
- R-Value Free: 0.211
- R-Value Work: 0.166
- R-Value Observed: 0.169
This is version 1.3 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 |
| Cytochrome P450 119 | 368 | Sulfolobus acidocaldarius DSM 639 | Mutation(s): 0 Gene Names: cyp119, Saci_2081 EC: 1.14 (PDB Primary Data), 1.11.1.7 (PDB Primary Data) |  | |
UniProt | |||||
Find proteins for Q55080 (Sulfolobus acidocaldarius (strain ATCC 33909 / DSM 639 / JCM 8929 / NBRC 15157 / NCIMB 11770)) Explore Q55080 Go to UniProtKB: Q55080 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q55080 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| HEM Query on HEM | B [auth A] | PROTOPORPHYRIN IX CONTAINING FE C34 H32 Fe N4 O4 KABFMIBPWCXCRK-RGGAHWMASA-L |  | ||
| 36Y Query on 36Y | C [auth A] | 4-(4-bromophenyl)-1H-imidazole C9 H7 Br N2 YLIOAWKNPLJMID-UHFFFAOYSA-N |  | ||
| GOL Query on GOL | D [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.70 Å
- R-Value Free: 0.211
- R-Value Work: 0.166
- R-Value Observed: 0.169
- Space Group: P 63 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 168.68 | α = 90 |
| b = 168.68 | β = 90 |
| c = 76.35 | γ = 120 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
Entry History & Funding Information
Deposition Data
- Released Date: 2015-02-18 Deposition Author(s): Madrona, Y.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) | United States | -- |
Revision History (Full details and data files)
- Version 1.0: 2015-02-18
Type: Initial release - Version 1.1: 2017-09-20
Changes: Author supporting evidence, Derived calculations, Other, Source and taxonomy - Version 1.2: 2019-12-25
Changes: Author supporting evidence, Derived calculations - Version 1.3: 2023-12-27
Changes: Data collection, Database references
