2IFA
Crystal Structure of the PUTATIVE NITROREDUCTASE (SMU.260) IN COMPLEX WITH FMN FROM STREPTOCOCCUS MUTANS, NORTHEAST STRUCTURAL GENOMICS TARGET SMR5.
- PDB DOI: https://doi.org/10.2210/pdb2IFA/pdb
- Entry: 2IFA supersedes: 1YW3
- Classification: STRUCTURAL GENOMICS, UNKNOWN FUNCTION
- Organism(s): Streptococcus mutans UA159
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2006-09-20 Released: 2006-10-03
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.30 Å
- R-Value Free: 0.273
- R-Value Work: 0.218
- R-Value Observed: 0.218
This is version 1.3 of the entry. See complete history.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Hypothetical protein SMU.260 | 208 | Streptococcus mutans UA159 | Mutation(s): 4 Gene Names: SMU.260 |  | |
UniProt | |||||
Find proteins for Q8DW21 (Streptococcus mutans serotype c (strain ATCC 700610 / UA159)) Explore Q8DW21 Go to UniProtKB: Q8DW21 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q8DW21 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| FMN Query on FMN | G [auth A] H [auth B] I [auth C] J [auth D] K [auth E] | FLAVIN MONONUCLEOTIDE C17 H21 N4 O9 P FVTCRASFADXXNN-SCRDCRAPSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| MSE Query on MSE | A, B, C, D, E A, B, C, D, E, F | L-PEPTIDE LINKING | C5 H11 N O2 Se |  | MET |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.30 Å
- R-Value Free: 0.273
- R-Value Work: 0.218
- R-Value Observed: 0.218
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 109.435 | α = 90 |
| b = 60.871 | β = 117.83 |
| c = 109.155 | γ = 90 |
| Software Name | Purpose |
|---|---|
| CNS | refinement |
| ADSC | data collection |
| DENZO | data reduction |
| SCALEPACK | data scaling |
| SnB | phasing |
| SOLVE | phasing |
| RESOLVE | phasing |
| XTALVIEW | refinement |
Entry History
Deposition Data
- Released Date: 2006-10-03 Deposition Author(s): Forouhar, F., Chen, Y., Xiao, R., Ma, L.C., Byler, T., Acton, T.B., Montelione, G.T., Tong, L., Hunt, J.F., Northeast Structural Genomics Consortium (NESG)
- This entry supersedes: 1YW3
Revision History (Full details and data files)
- Version 1.0: 2006-10-03
Type: Initial release - Version 1.1: 2008-05-01
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Source and taxonomy, Version format compliance - Version 1.3: 2017-10-18
Changes: Refinement description
