Structure of PDB 1y0v Chain C Binding Site BS02

Receptor Information
>1y0v Chain C (length=735) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NNLVKTEFTNETLDKIQQTQDLLKKIPKDVLEIYSELGGEIYFTDIDLVE
HKELQDLSEEEKNSMNSRGEKVPFASRFVFEKKRETPKLIINIKDYAINS
EQSKEVYYEIGKGISLDIISKDKSLDPEFLNLIKSLSDDSDSSDLLFSQK
FKEKLELNNKSIDINFIKENLTEFQHAFSLAFSYYFAPDHRTVLELYAPD
MFEYMNKLEKGGFEKISESLKKEGVEKDRIDVLKGEKALKASGLVPEHAD
AFKKIARELNTYILFRPVNKLATNLIKSGVATKGLNVHGKSSDWGPVAGY
IPFDQDLSKKHGQQLAVEKGNLENKKSITEHEGEIGKIPLKLDHLRIEEL
KENGIILKGKKEIDNGKKYYLLESNNQVYEFRISDENNEVQYKTKEGKIT
VLGEKFNWRNIEVMAKNVEGVLKPLTADYDLFALAPSLTEIKKQIPQKEW
DKVVNTPNSLEKQKGVTNLLIKYGIERKPDSTKGTLSNWQKQMLDRLNEA
VKYTGYTGGDVVNHGTEQDNEEFPEKDNEIFIINPEGEFILTKNWEMTGR
FIEKNITGKDYLYYFNRSYNKIAPGNKAYIEWTDPITKAKINTIPTSAEF
IKNLSSIRRSSNVGVYKDSGDKDEFAKKESVKKIAGYLSDYYNSANHIFS
QEKKRKISIFRGIQAYNEIENVLKSKQIAPEYKNYFQYLKERITNQVQLL
LTHQKSNIEFKLLYKQLNFTENETDNFEVFQKIID
Ligand information
Ligand IDPOP
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
CACTVS 3.341O[P]([O-])(=O)O[P](O)([O-])=O
ACDLabs 10.04[O-]P(=O)(O)OP([O-])(=O)O
OpenEye OEToolkits 1.5.0OP(=O)([O-])OP(=O)(O)[O-]
FormulaH2 O7 P2
NamePYROPHOSPHATE 2-
ChEMBL
DrugBank
ZINC
PDB chain1y0v Chain C Residue 903 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1y0v Calcium-independent calmodulin binding and two-metal-ion catalytic mechanism of anthrax edema factor
Resolution3.6 Å
Binding residue
(original residue number in PDB)		K346 S354 K372
Binding residue
(residue number reindexed from 1)		K283 S291 K309
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) Y626 Y627 R630 Y679 D686
Catalytic site (residue number reindexed from 1) Y563 Y564 R567 Y616 D623
Enzyme Commision number 4.6.1.1: adenylate cyclase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008237 metallopeptidase activity
GO:0008294 calcium- and calmodulin-responsive adenylate cyclase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:1y0v, PDBe:1y0v, PDBj:1y0v
PDBsum1y0v
PubMed15719022
UniProtP40136|CYAA_BACAN Calmodulin-sensitive adenylate cyclase (Gene Name=cya)

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