Download MendeleyStreptomyces coelicolor methylmalonyl-CoA epimerase in complex with carboxy-carba(dethia)-CoA
Stunkard, L.M., Boram, T.J., Benjamin, A.B., Bower, J.B., Lohman, J.R.To be published.
6XBQ
Streptomyces coelicolor methylmalonyl-CoA epimerase in complex with carboxy-carba(dethia)-CoA
- PDB DOI: https://doi.org/10.2210/pdb6XBQ/pdb
- Classification: ISOMERASE/INHIBITOR
- Organism(s): Streptomyces coelicolor A3(2)
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2020-06-07 Released: 2020-07-01
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.64 Å
- R-Value Free: 0.175
- R-Value Work: 0.154
- R-Value Observed: 0.155
Starting Model: experimental
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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 |
| Methylmalonyl-CoA epimerase | 146 | Streptomyces coelicolor A3(2) | Mutation(s): 1 Gene Names: SCO5398 |  | |
UniProt | |||||
Find proteins for Q9L2C2 (Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145)) Explore Q9L2C2 Go to UniProtKB: Q9L2C2 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9L2C2 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| CMX (Subject of Investigation/LOI) Query on CMX | E [auth A] | CARBOXYMETHYLDETHIA COENZYME *A C23 H38 N7 O18 P3 SKRDARVCOPFVCP-GRFIIANRSA-N |  | ||
| SO4 Query on SO4 | C [auth A], D [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| CO Query on CO | B [auth A] | COBALT (II) ION Co XLJKHNWPARRRJB-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.64 Å
- R-Value Free: 0.175
- R-Value Work: 0.154
- R-Value Observed: 0.155
- Space Group: P 41 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 68.504 | α = 90 |
| b = 68.504 | β = 90 |
| c = 103.315 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| SCALEPACK | data scaling |
| PHASER | phasing |
| PDB_EXTRACT | data extraction |
| ARP/wARP | model building |
| HKL-2000 | data reduction |
Entry History
Deposition Data
- Released Date: 2020-07-01 Deposition Author(s): Stunkard, L.M., Boram, T.J., Benjamin, A.B., Bower, J.B., Lohman, J.R.
Revision History (Full details and data files)
- Version 1.0: 2020-07-01
Type: Initial release - Version 1.1: 2023-10-18
Changes: Data collection, Database references, Refinement description
