Structure of PDB 3cgd Chain B

Receptor sequence

>3cgdB (length=444) Species: 198094 (Bacillus anthracis str. Ames)

MNYVIIGGDAAGMSAAMQIVRNDENANVVTLEKGEIYSYAQCGLPYVISG
AIASTEKLIARNVKTFRDKYGIDAKVRHEVTKVDTEKKIVYAEHTKTKDV
FEFSYDRLLIATGVRPVMPEWEGRDLQGVHLLKTIPDAERILKTLETNKV
EDVTIIGGGAIGLEMAETFVELGKKVRMIERNDHIGTIYDGDMAEYIYKE
ADKHHIEILTNENVKAFKGNERVEAVETDKGTYKADLVLVSVGVKPNTDF
LEGTNIRTNHKGAIEVNAYMQTNVQDVYAAGDCATHYHVIKEIHDHIPIG
TTANKQGRLAGLNMLDKRRAFKGTLGTGIIKFMNLTLARTGLNEKEAKGL
HIPYKTVKVDSTNMAGYYPNAKPLYLKLLYRSDTKQLLGGQVIGEEGVDK
RIDVIAMALFNKMSIHDLEDVDLSYAPPYNSVWDPIQQAARRAE

3D structure

• PDB: 3cgd Pyridine Nucleotide Complexes with Bacillus anthracis Coenzyme A-Disulfide Reductase: A Structural Analysis of Dual NAD(P)H Specificity.
• Chain: B
• Resolution: 2.25 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): A10 Y37 Q41 C42 N304
• Catalytic site (residue number reindexed from 1): A10 Y37 Q41 C42 N304

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	R441 R442	R441 R442
BS02	FAD	B	Y425 A426	Y425 A426
BS03	COA	B	M17 Q18 R21 S38 Y39 C42 R61 N304 R308	M17 Q18 R21 S38 Y39 C42 R61 N304 R308
BS04	FAD	B	I6 G7 D9 A10 A11 L31 E32 K33 Q41 C42 V80 T112 G113 L132 G281 D282 I299 G300 A303	I6 G7 D9 A10 A11 L31 E32 K33 Q41 C42 V80 T112 G113 L132 G281 D282 I299 G300 A303
BS05	NAD	B	I156 G157 G159 A160 I161 E164 E180 R181 V242 G243 P298 I299	I156 G157 G159 A160 I161 E164 E180 R181 V242 G243 P298 I299

Gene Ontology

Molecular Function

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

External links

• PDB: RCSB:3cgd, PDBe:3cgd, PDBj:3cgd
• PDBsum: 3cgd
• PubMed: 18399646
• UniProt: A0A6L7HMK7