Download MendeleyTWO DIMENTIONAL 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.
4WPD
X-ray Crystal Structure of CYP119 complexed with 4-(4-flourophenyl)-1H-imidazole
- PDB DOI: https://doi.org/10.2210/pdb4WPD/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Sulfolobus acidocaldarius DSM 639
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2014-10-17 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: 2.00 ?
- R-Value Free: 0.199
- R-Value Work: 0.157
- R-Value Observed: 0.158
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 | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| HEM Query on HEM | D [auth A], E [auth B] | PROTOPORPHYRIN IX CONTAINING FE C34 H32 Fe N4 O4 KABFMIBPWCXCRK-RGGAHWMASA-L |  | ||
| 3SQ Query on 3SQ | C [auth A], F [auth B] | 4-(4-fluorophenyl)-1H-imidazole C9 H7 F N2 QYDAFWKRBZYBOB-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 ?
- R-Value Free: 0.199
- R-Value Work: 0.157
- R-Value Observed: 0.158
- Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 78.801 | ¦Á = 90 |
| b = 95.458 | ¦Â = 90 |
| c = 106.715 | ¦Ă = 90 |
| 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: Advisory, Author supporting evidence, Derived calculations, Other, Source and taxonomy - Version 1.2: 2019-12-25
Changes: Author supporting evidence - Version 1.3: 2023-12-27
Changes: Data collection, Database references, Derived calculations, Refinement description
