Download MendeleyStructure of MccF with substrate analogs
Agarwal, V., Nair, S.K.To be published.
4IIX
Structure of MccF in complex with glutamyl sulfamoyl guanosine
- PDB DOI: https://doi.org/10.2210/pdb4IIX/pdb
- Classification: HYDROLASE
- Organism(s): Escherichia coli
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2012-12-20 Released: 2013-12-25
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.23 ?
- R-Value Free: 0.175 (Depositor), 0.170 (DCC)
- R-Value Work: 0.162 (Depositor), 0.160 (DCC)
- R-Value Observed: 0.163 (Depositor)
Starting Model: experimental
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This is version 1.3 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 |
| MccF | 371 | Escherichia coli | Mutation(s): 1 Gene Names: mccF EC: 3.4 |  | |
UniProt | |||||
Find proteins for Q47511 (Escherichia coli) Explore Q47511 Go to UniProtKB: Q47511 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q47511 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 1EG Query on 1EG | C [auth A], H [auth B] | 5'-O-(L-alpha-glutamylsulfamoyl)guanosine C15 H21 N7 O10 S OSXZSDHEDNMZPJ-UFIIOMENSA-N |  | ||
| EDO Query on EDO | D [auth A] E [auth A] F [auth A] G [auth A] I [auth B] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.23 ?
- R-Value Free: 0.175 (Depositor), 0.170 (DCC)
- R-Value Work: 0.162 (Depositor), 0.160 (DCC)
- R-Value Observed: 0.163 (Depositor)
Space Group: P 1 21 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 54.435 | ¦Á = 90 |
| b = 85.73 | ¦Â = 101.24 |
| c = 72.983 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| SCALEPACK | data scaling |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| DENZO | data reduction |
Entry History
Deposition Data
- Released Date: 2013-12-25 Deposition Author(s): Agarwal, V., Nair, S.K.
Revision History (Full details and data files)
- Version 1.0: 2013-12-25
Type: Initial release - Version 1.1: 2017-11-15
Changes: Refinement description - Version 1.2: 2019-07-17
Changes: Data collection, Refinement description - Version 1.3: 2023-09-20
Changes: Data collection, Database references, Derived calculations, Refinement description
