Download MendeleyCrystal Structure of Enoyl-Acyl Carrier Protein Reductase (FabI) from Neisseria meningitidis in complex with NAD+ and Triclosan
Nanson, J.D., Forwood, J.K.To be published.
4M89
Crystal Structure of Enoyl-Acyl Carrier Protein Reductase (FabI) from Neisseria meningitidis in complex with NAD+ and Triclosan
- PDB DOI: https://doi.org/10.2210/pdb4M89/pdb
- Classification: OXIDOREDUCTASE/ANTIBIOTIC
- Organism(s): Neisseria meningitidis FAM18
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2013-08-13 Released: 2013-10-02
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 ?
- R-Value Free: 0.186
- R-Value Work: 0.167
- R-Value Observed: 0.168
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 |
| Enoyl-[acyl-carrier-protein] reductase [NADH] | 261 | Neisseria meningitidis FAM18 | Mutation(s): 0 Gene Names: fabI, NMC1834 EC: 1.3.1.9 |  | |
UniProt | |||||
Find proteins for A1KVU8 (Neisseria meningitidis serogroup C / serotype 2a (strain ATCC 700532 / DSM 15464 / FAM18)) Explore A1KVU8 Go to UniProtKB: A1KVU8 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A1KVU8 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NAD Query on NAD | C [auth A], E [auth B] | NICOTINAMIDE-ADENINE-DINUCLEOTIDE C21 H27 N7 O14 P2 BAWFJGJZGIEFAR-NNYOXOHSSA-N |  | ||
| TCL Query on TCL | D [auth A], F [auth B] | TRICLOSAN C12 H7 Cl3 O2 XEFQLINVKFYRCS-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 ?
- R-Value Free: 0.186
- R-Value Work: 0.167
- R-Value Observed: 0.168
- Space Group: P 61 2 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 90.77 | ¦Á = 90 |
| b = 90.77 | ¦Â = 90 |
| c = 241.27 | ¦Ă = 120 |
| Software Name | Purpose |
|---|---|
| Blu-Ice | data collection |
| PHASER | phasing |
| REFMAC | refinement |
| MOSFLM | data reduction |
| SCALA | data scaling |
Entry History
Deposition Data
- Released Date: 2013-10-02 Deposition Author(s): Nanson, J.D., Forwood, J.K.
Revision History (Full details and data files)
- Version 1.0: 2013-10-02
Type: Initial release - Version 1.1: 2024-02-28
Changes: Data collection, Database references, Derived calculations, Refinement description
