Structure of PDB 4a3u Chain B

Receptor sequence

>4a3uB (length=355) Species: 542 (Zymomonas mobilis)

PSLFDPIRFGAFTAKNRIWMAPLTRGRATRDHVPTEIMAEYYAQRASAGL
IISEATGISQEGLGWPYAPGIWSDAQVEAWLPITQAVHDAGGLIFAQLWH
MGRMVPSNVSGMQPVAPSASQAPGLGHTYDGKKPYDVARALRLDEIPRLL
DDYEKAARHALKAGFDGVQIHAANGYLIDEFIRDSTNHRHDEYGGAVENR
IRLLKDVTERVIATIGKERTAVRLSPNGEIQGTVDSHPEQVFIPAAKMLS
DLDIAFLGMREGAVDGTFGKTDQPKLSPEIRKVFKPPLVLNQDYTFETAQ
AALDSGVADAISFGRPFIGNPDLPRRFFEKAPLTKDVIETWYTQTPKGYT
DYPLL

3D structure

• PDB: 4a3u Crystal Structure Determination and Mutagenesis Analysis of the Ene Reductase Ncr.
• Chain: B
• Resolution: 1.7 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): T25 H172 N175 Y177 R224 Q232
• Catalytic site (residue number reindexed from 1): T24 H171 N174 Y176 R223 Q231

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	FMN	B	P23 L24 T25 A56 Q98 H172 R224 R261 F269 N292 Q293 D294 G315 R316 W342 Y343	P22 L23 T24 A55 Q97 H171 R223 R260 F268 N291 Q292 D293 G314 R315 W341 Y342
BS02	ACT	B	I53 Q170 R224 V290 S313	I52 Q169 R223 V289 S312
BS03	NCA	B	T25 W66 H172 N175 Y177 Y343	T24 W65 H171 N174 Y176 Y342

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0010181 FMN binding
• GO:0016491 oxidoreductase activity

External links

• PDB: RCSB:4a3u, PDBe:4a3u, PDBj:4a3u
• PDBsum: 4a3u
• PubMed: 23033175
• UniProt: Q5NLA1