Download MendeleyCrystal Structure of ThiJ/PfpI Domain Protein from Brachyspira murdochii
Kim, Y., Bigelow, L., Jedrzejczak, R., Joachimiak, A.To be published.
4HCJ
Crystal Structure of ThiJ/PfpI Domain Protein from Brachyspira murdochii
- PDB DOI: https://doi.org/10.2210/pdb4HCJ/pdb
- Classification: HYDROLASE
- Organism(s): Brachyspira murdochii DSM 12563
- Expression System: Escherichia coli BL21
- Mutation(s): No
- Deposited: 2012-09-30 Released: 2012-10-24
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.12 Å
- R-Value Free: 0.127
- R-Value Work: 0.116
- R-Value Observed: 0.116
wwPDB Validation 3D Report Full Report
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 |
| ThiJ/PfpI domain protein | 177 | Brachyspira murdochii DSM 12563 | Mutation(s): 0 Gene Names: Bmur_0257 |  | |
UniProt | |||||
Find proteins for D5U596 (Brachyspira murdochii (strain ATCC 51284 / DSM 12563 / 56-150)) Explore D5U596 Go to UniProtKB: D5U596 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | D5U596 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| FMT Query on FMT | F [auth A] | FORMIC ACID C H2 O2 BDAGIHXWWSANSR-UHFFFAOYSA-N |  | ||
| CL Query on CL | E [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
| MG Query on MG | B [auth A], C [auth A], D [auth A] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| MSE Query on MSE | A | L-PEPTIDE LINKING | C5 H11 N O2 Se |  | MET |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.12 Å
- R-Value Free: 0.127
- R-Value Work: 0.116
- R-Value Observed: 0.116
- Space Group: C 1 2 1
- Diffraction Data: https://doi.org/10.18430/M34HCJ
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 64.799 | α = 90 |
| b = 42.197 | β = 116.95 |
| c = 66.366 | γ = 90 |
| Software Name | Purpose |
|---|---|
| SBC-Collect | data collection |
| HKL-3000 | data collection |
| HKL-3000 | phasing |
| SHELXS | phasing |
| MLPHARE | phasing |
| RESOLVE | model building |
| ARP/wARP | model building |
| ahelx-97 | refinement |
| PHENIX | refinement |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
| RESOLVE | phasing |
Entry History
Deposition Data
- Released Date: 2012-10-24 Deposition Author(s): Kim, Y., Bigelow, L., Jedrzejczak, R., Joachimiak, A., Midwest Center for Structural Genomics (MCSG)
Revision History (Full details and data files)
- Version 1.0: 2012-10-24
Type: Initial release - Version 1.1: 2017-11-15
Changes: Refinement description
