Structure of PDB 1sk6 Chain B Binding Site BS04

Receptor Information

>1sk6 Chain B (length=454) Species: 1392 (Bacillus anthracis)

DVLKGEKALKASGLVPEHADAFKKIARELNTYILFRPVNKLATNLIKSGV
ATKGLNVHGKSSDWGPVAGYIPFDQDLSKKHGQQLAVEKGNLENKKSITE
HEGEIGKIPLKLDHLRIEELKENGIILKGKKEIDNGKKYYLLESNNQVYE
FRISDENNEVQYKTKEGKITVLGEKFNWRNIEVMAKNVEGVLKPLTADYD
LFALAPSLTEIKKQIPQKEWDKVVNTPNEKQKGVTNLLIKYGIERKPDST
KGTLSNWQKQMLDRLNEAVKYTGYTGGDVVNHGTEQDNEEFPEKDNEIFI
INPEGEFILTKNWEMTGRFIEKNITGKDYLYYFNRSYNKIAPGNKAYIEW
TDPITKAKINTIPSDYYNSANHIFSQEKKRKISIFRGIQAYNEIENVLKS
KQIAPEYKNYFQYLKERITNQVQLLLTHQKLLYKQLNFTENETDNFEVFQ
KIID

Ligand information

• Ligand ID: POP
• InChI: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
• InChIKey: XPPKVPWEQAFLFU-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
  CACTVS 3.341: O[P]([O-])(=O)O[P](O)([O-])=O
  ACDLabs 10.04: [O-]P(=O)(O)OP([O-])(=O)O
  OpenEye OEToolkits 1.5.0: OP(=O)([O-])OP(=O)(O)[O-]
• Formula: H2 O7 P2
• Name: PYROPHOSPHATE 2-
• PDB chain: 1sk6 Chain B Residue 894

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1sk6 Structural and kinetic analyses of the interaction of anthrax adenylyl cyclase toxin with reaction products cAMP and pyrophosphate.
• Resolution: 3.2 Å
• Binding residue (original residue number in PDB): K346 K353 S354 K372 A490
• Binding residue (residue number reindexed from 1): K53 K60 S61 K79 A197
• Annotation score: 5

Enzymatic activity

• Enzyme Commision number: 4.6.1.1: adenylate cyclase.

Gene Ontology

Molecular Function

• GO:0008294 calcium- and calmodulin-responsive adenylate cyclase activity

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:1sk6, PDBe:1sk6, PDBj:1sk6
• PDBsum: 1sk6
• PubMed: 15131111
• UniProt: P40136|CYAA_BACAN Calmodulin-sensitive adenylate cyclase (Gene Name=cya)