Download MendeleyCrystal structure of Dethiobiotin Synthetase from Mycobacterium tuberculosis in complex with 2'-deoxycytidine diphosphate
Thompson, A.P., Polyak, S.W., Wegener, K.L., Bruning, J.B.To be published.
6NKB
Crystal structure of Dethiobiotin Synthetase from Mycobacterium tuberculosis in complex with 2'-deoxycytidine diphosphate
- PDB DOI: https://doi.org/10.2210/pdb6NKB/pdb
- Classification: TRANSFERASE
- Organism(s): Mycobacterium tuberculosis H37Rv
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2019-01-07 Released: 2020-01-15
- Funding Organization(s): National Health and Medical Research Council (NHMRC, Australia)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 ?
- R-Value Free: 0.265
- R-Value Work: 0.209
- R-Value Observed: 0.212
This is version 1.1 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 |
| ATP-dependent dethiobiotin synthetase BioD | 233 | Mycobacterium tuberculosis H37Rv | Mutation(s): 0 Gene Names: bioD, Rv1570, MTCY336.33c EC: 6.3.3.3 |  | |
UniProt | |||||
Find proteins for P9WPQ5 (Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)) Explore P9WPQ5 Go to UniProtKB: P9WPQ5 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P9WPQ5 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| YYY (Subject of Investigation/LOI) Query on YYY | E [auth A], G [auth B], H [auth C], J [auth D] | DEOXYCYTIDINE DIPHOSPHATE C9 H15 N3 O10 P2 FTDHDKPUHBLBTL-SHYZEUOFSA-N |  | ||
| MG (Subject of Investigation/LOI) Query on MG | F [auth A], I [auth C], K [auth D] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 ?
- R-Value Free: 0.265
- R-Value Work: 0.209
- R-Value Observed: 0.212
- Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 54.8 | ¦Á = 90 |
| b = 105.2 | ¦Â = 90 |
| c = 154.19 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| Aimless | data scaling |
| PHASER | phasing |
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
Entry History & Funding Information
Deposition Data
- Released Date: 2020-01-15 Deposition Author(s): Thompson, A.P., Polyak, S.W., Wegener, K.L., Bruning, J.B.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Health and Medical Research Council (NHMRC, Australia) | Australia | -- |
Revision History (Full details and data files)
- Version 1.0: 2020-01-15
Type: Initial release - Version 1.1: 2024-03-13
Changes: Data collection, Database references, Derived calculations
