Download MendeleyCrystal Structure of Allphanate Hydrolase Complex from M. smegmatis, Msmeg0435-Msmeg0436
Kaufmann, M., Chernishof, I., Shin, A., Germano, D., Sawaya, M.R., Waldo, G.S., Arbing, M.A., Perry, J., Eisenberg, D.To be published.
3MML
Allophanate Hydrolase Complex from Mycobacterium smegmatis, Msmeg0435-Msmeg0436
- PDB DOI: https://doi.org/10.2210/pdb3MML/pdb
- Classification: HYDROLASE
- Organism(s): Mycolicibacterium smegmatis MC2 155
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2010-04-20 Released: 2010-04-28
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.50 Å
- R-Value Free: 0.202
- R-Value Work: 0.169
- R-Value Observed: 0.170
wwPDB Validation 3D Report Full Report
This is version 1.2 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 |
| Allophanate hydrolase subunit 2 | 318 | Mycolicibacterium smegmatis MC2 155 | Mutation(s): 0 Gene Names: Msmeg0435, MSMEG_0435 EC: 3.5.1.54 |  | |
UniProt | |||||
Find proteins for A0QPL0 (Mycolicibacterium smegmatis (strain ATCC 700084 / mc(2)155)) Explore A0QPL0 Go to UniProtKB: A0QPL0 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A0QPL0 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Allophanate hydrolase subunit 1 | 228 | Mycolicibacterium smegmatis MC2 155 | Mutation(s): 0 Gene Names: Msmeg0436, MSMEG_0436 |  | |
UniProt | |||||
Find proteins for A0QPL1 (Mycolicibacterium smegmatis (strain ATCC 700084 / mc(2)155)) Explore A0QPL1 Go to UniProtKB: A0QPL1 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A0QPL1 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| CL Query on CL | I [auth B] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| MSE Query on MSE | A, C, E, G | L-PEPTIDE LINKING | C5 H11 N O2 Se |  | MET |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.50 Å
- R-Value Free: 0.202
- R-Value Work: 0.169
- R-Value Observed: 0.170
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 77.483 | α = 90 |
| b = 84.239 | β = 90 |
| c = 402.075 | γ = 90 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| MLPHARE | phasing |
| DM | phasing |
| TNT | refinement |
| PDB_EXTRACT | data extraction |
| ADSC | data collection |
| BUSTER | refinement |
Entry History
Deposition Data
- Released Date: 2010-04-28 Deposition Author(s): Kaufmann, M., Chernishof, I., Shin, A., Germano, D., Sawaya, M.R., Waldo, G.S., Arbing, M.A., Perry, J., Eisenberg, D., Integrated Center for Structure and Function Innovation (ISFI), TB Structural Genomics Consortium (TBSGC)
Revision History (Full details and data files)
- Version 1.0: 2010-04-28
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2017-11-08
Changes: Refinement description
