Structure of PDB 3c14 Chain A Binding Site BS02

Receptor Information

>3c14 Chain A (length=189) Species: 9615 (Canis lupus familiaris)

MMFHKIYIQKHDNVSILFADIEGFTSLASQCTAQELVMTLNELFARFDKL
AAENHCLRIKILGDCYYCVSGLPEARADHAHCCVEMGMDMIEAISLVREM
TGVNVNMRVGIHSGRVHCGVLGLRKWQFDVWSNDVTLANHMEAGGKAGRI
HITKATLSYLNGDYEVEPGCGGERNAYLKEHSIETFLIL

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: 3c14 Chain A Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3c14 Structural basis for inhibition of mammalian adenylyl cyclase by calcium.
• Resolution: 2.68 Å
• Binding residue (original residue number in PDB): I397 E398 G399 F400 T401 R484
• Binding residue (residue number reindexed from 1): I21 E22 G23 F24 T25 R108
• Annotation score: 5

Enzymatic activity

• Catalytic site (original residue number in PDB): D396 I397 D440 H516
• Catalytic site (residue number reindexed from 1): D20 I21 D64 H140
• Enzyme Commision number: 4.6.1.1: adenylate cyclase.

Gene Ontology

Molecular Function

• GO:0016849 phosphorus-oxygen lyase activity

Biological Process

• GO:0009190 cyclic nucleotide biosynthetic process
• GO:0035556 intracellular signal transduction

External links

• PDB: RCSB:3c14, PDBe:3c14, PDBj:3c14
• PDBsum: 3c14
• PubMed: 19243146
• UniProt: P30803|ADCY5_CANLF Adenylate cyclase type 5 (Gene Name=ADCY5)