Structure of PDB 4clt Chain A Binding Site BS04

Receptor Information

>4clt Chain A (length=462) Species: 9606 (Homo sapiens)

MNTPKEEFQDWPIVRIAAHLPDLIVYGHFSPERPFMDYFDGVLMFVDISG
FTAMTEKFSSAMYMDRGAEQLVEILNYHISAIVEKVLIFGGDILKFAGDA
LLALWRVERKQLKNIITVVIKCSLEIHGLFGLDIRVKIGLAAGHISMLVF
GDETHSHFLVIGQAVDDVRLAQNMAQMNDVILSPNCWQLCDRSMIEIESV
PDQRAVKVNFLKPPPNFNFDEFFTKCTTFMHYYPSGEHKNLLRLACTLKP
DPELEMSLQKYVMESILKQIDNKQLQGYLSELRPVTIVFVNLMFEDQDKA
EEIGPAIQDAYMHITSVLKIFQGQINKVFMFDKGCSFLCVFGFPGEKVPD
ELTHALECAMDIFDFCSQVHKIQTVSIGVASGIVFCGIVGHTVRHEYTVI
GQKVNLAARMMMYYPGIVTCDSVTYNGSNLPAYFFKELPKKVMKGVADSG
PLYQYWGRTEKV

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: 4clt Chain A Residue 1474

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4clt Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): D47 S49 G50 F51 T52 D99
• Binding residue (residue number reindexed from 1): D47 S49 G50 F51 T52 D99
• Annotation score: 5

Enzymatic activity

• Enzyme Commision number: 4.6.1.1: adenylate cyclase.

Gene Ontology

Biological Process

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

External links

• PDB: RCSB:4clt, PDBe:4clt, PDBj:4clt
• PDBsum: 4clt
• PubMed: 24567411
• UniProt: Q96PN6|ADCYA_HUMAN Adenylate cyclase type 10 (Gene Name=ADCY10)