Structure of PDB 3nt6 Chain B

Receptor sequence

>3nt6B (length=565) Species: 323850 (Shewanella loihica PV-4)

MKKILIIGGVAGGASAAARARRLSETAEIIMFERGEYVSFANSGLPYHIS
GEIAQRSALVLQTPESFKARFNVEVRVKHEVVAIDRAAKLVTVRRLLDGS
EYQESYDTLLLSPGAAPIVPPIPGVDNPLTHSLRNIPDMDRILQTIQMNN
VEHATVVGGGFIGLEMMESLHHLGIKTTLLELADQVMTPVDREMAGFAHQ
AIRDQGVDLRLGTALSEVSYQVQTHVASDAAGEDTAHQHIKGHLSLTLSN
GELLETDLLIMAIGVRPETQLARDAGLAIGELGGIKVNAMMQTSDPAIYA
VGDAVEEQDFVTGQACLVPLAGPANRQGRMAADNMFGREERYQGTQGTAI
CKVFDLAVGATGKNEKQLKQAGIAFEKVYVHTASHASYYPGAEVVSFKLL
FDPVKGTIFGAQAVGKDGIDKRIDVMAVAQRAGMTVEQLQHLELSYAPPY
GSAKDVINQAAFVASNIIKGDATPIHFDQIDNLSEDQLLLDVRNPGELQN
GGLEGAVNIPVDELRDRMHELPKDKEIIIFSQVGLRGNVAYRQLVNNGYR
ARNLIGGYRTYKFAS

3D structure

• PDB: 3nt6 Characterization of an NADH-Dependent Persulfide Reductase from Shewanella loihica PV-4: Implications for the Mechanism of Sulfur Respiration via FAD-Dependent Enzymes .
• Chain: B
• Resolution: 2.0 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): A11 V38 N42 S43 N325 D471 A472
• Catalytic site (residue number reindexed from 1): A11 V38 N42 S43 N325 D471 A472
• Enzyme Commision number: 1.8.1.14: CoA-disulfide reductase.

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	COA	B	Q459 V463 N466 G534 L535 N538	Q459 V463 N466 G534 L535 N538
BS02	FAD	B	G8 V10 A11 G12 E33 R34 N42 S43 E80 V81 S112 P113 G114 F161 I162 G302 D303 P319 L320 A321	G8 V10 A11 G12 E33 R34 N42 S43 E80 V81 S112 P113 G114 F161 I162 G302 D303 P319 L320 A321
BS03	COA	B	A11 R19 R22 S39 A41 N42 S43 A321 N325 R329	A11 R19 R22 S39 A41 N42 S43 A321 N325 R329

Gene Ontology

Molecular Function

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

External links

• PDB: RCSB:3nt6, PDBe:3nt6, PDBj:3nt6
• PDBsum: 3nt6
• PubMed: 21090815
• UniProt: A3QAV3