Structure of PDB 3ics Chain A

Receptor sequence

>3icsA (length=555) Species: 198094 (Bacillus anthracis str. Ames)

WGSRKIVVVGGVAGGASVAARLRRLSEEDEIIMVERGEYISFANCGLPYY
IGGVITERQKLLVQTVERMSKRFNLDIRVLSEVVKINKEEKTITIKNVTT
NETYNEAYDVLILSPGAKPIVPSIPGIEEAKALFTLRNVPDTDRIKAYID
EKKPRHATVIGGGFIGVEMVENLRERGIEVTLVEMANQVMPPIDYEMAAY
VHEHMKNHDVELVFEDGVDALEENGAVVRLKSGSVIQTDMLILAIGVQPE
SSLAKGAGLALGVRGTIKVNEKFQTSDPHIYAIGDAIEVKDFVTETETMI
PLAWPANRQGRMLADIIHGHTDSLYKGTLGTSVAKVFDLTVATTGLNEKI
LKRLNIPYEVVHVQANSHAGYYPNATPVLIKLIFNKDSGKIYGAQTLGRD
GVDKRMDVIATAIKANLTVLDLPDLELSYAPPYSSAKDPVNMVGYAASNI
VDGFVDTVQWHEIDRIVENGGYLIDVREPNELKQGMIKGSINIPLDELRD
RLEEVPVDKDIYITCQLGMRGYVAARMLMEKGYKVKNVDGGFKLYGTVLP
ERIVY

3D structure

• PDB: 3ics Crystal structure and catalytic properties of Bacillus anthracis CoADR-RHD: implications for flavin-linked sulfur trafficking.
• Chain: A
• Resolution: 1.94 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): A12 I39 N43 C44 N306 S427 F453 V454
• Catalytic site (residue number reindexed from 1): A13 I40 N44 C45 N307 S428 F454 V455

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	FAD	A	G9 V11 A12 G13 E34 R35 N43 C44 E81 V82 S113 P114 G115 L135 R136 G283 D284 P300 L301 A302 A305	G10 V12 A13 G14 E35 R36 N44 C45 E82 V83 S114 P115 G116 L136 R137 G284 D285 P301 L302 A303 A306
BS02	COA	A	A12 A15 A19 R20 R23 S40 N43 C44 N306 R310	A13 A16 A20 R21 R24 S41 N44 C45 N307 R311
BS03	COA	A	K436 M441 Y444 N448 G517 M518 Y521	K437 M442 Y445 N449 G518 M519 Y522

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0003756 protein disulfide isomerase activity
• GO:0016491 oxidoreductase activity
• GO:0050451 CoA-disulfide reductase (NADPH) activity
• GO:0050660 flavin adenine dinucleotide binding
• GO:0050661 NADP binding

External links

• PDB: RCSB:3ics, PDBe:3ics, PDBj:3ics
• PDBsum: 3ics
• PubMed: 19725515
• UniProt: A0A6L7H7X4