Download MendeleyThe structure of EanB/T414V complex with hercynine
Wu, L., Liu, P.H., Zhou, J.H.To be published.
6KVZ
The structure of EanB/T414V complex with hercynine
- PDB DOI: https://doi.org/10.2210/pdb6KVZ/pdb
- Classification: TRANSFERASE
- Organism(s): Chlorobium limicola
- Expression System: Escherichia coli K-12
- Mutation(s): Yes
- Deposited: 2019-09-05 Released: 2020-09-09
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.18 Å
- R-Value Free: 0.200
- R-Value Work: 0.169
- R-Value Observed: 0.171
This is version 1.1 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 |
| Sulfurtransferase | 460 | Chlorobium limicola | Mutation(s): 1 Gene Names: Clim_1149 |  | |
UniProt | |||||
Find proteins for B3ECE3 (Chlorobium limicola (strain DSM 245 / NBRC 103803 / 6330)) Explore B3ECE3 Go to UniProtKB: B3ECE3 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | B3ECE3 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| AVJ (Subject of Investigation/LOI) Query on AVJ | B [auth A] | N,N,N-trimethyl-histidine C9 H16 N3 O2 GPPYTCRVKHULJH-QMMMGPOBSA-O |  | ||
| PEG Query on PEG | G [auth A] | DI(HYDROXYETHYL)ETHER C4 H10 O3 MTHSVFCYNBDYFN-UHFFFAOYSA-N |  | ||
| CL Query on CL | E [auth A], F [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
| MG Query on MG | C [auth A], D [auth A] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| CSS Query on CSS | A | L-PEPTIDE LINKING | C3 H7 N O2 S2 |  | CYS |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.18 Å
- R-Value Free: 0.200
- R-Value Work: 0.169
- R-Value Observed: 0.171
- Space Group: P 21 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 87.415 | α = 90 |
| b = 111.423 | β = 90 |
| c = 60.352 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
| PHENIX | phasing |
Entry History
Deposition Data
- Released Date: 2020-09-09 Deposition Author(s): Wu, L., Liu, P.H., Zhou, J.H.
Revision History (Full details and data files)
- Version 1.0: 2020-09-09
Type: Initial release - Version 1.1: 2024-10-16
Changes: Data collection, Database references, Derived calculations, Structure summary
