Structure of PDB 4cll Chain A Binding Site BS01

Receptor Information

>4cll Chain A (length=459) Species: 9606 (Homo sapiens)

MNTPKEEFQDWPIVRIAAHLPDLIVYGHFSPERPFMDYFDGVLMFVDISG
FTAMTEKFSSAMYMDRGAEQLVEILNYHISAIVEKVLIFGGDILKFAGDA
LLALWRVERKQLKNIITVVIKCSLEIHGLFETRVKIGLAAGHISMLVFGD
ETHSHFLVIGQAVDDVRLAQNMAQMNDVILSPNCWQLCDRSMIEIESVPD
QRAVKVNFLKPPPNFNFDEFFTKCTTFMHYYPSGEHKNLLRLACTLKPDP
ELEMSLQKYVMESILKQIDNKQLQGYLSELRPVTIVFVNLMFEDQDKAEE
IGPAIQDAYMHITSVLKIFQGQINKVFMFDKGCSFLCVFGFPGEKVPDEL
THALECAMDIFDFCSQVHKIQTVSIGVASGIVFCGIVGHTVRHEYTVIGQ
KVNLAARMMMYYPGIVTCDSVTYNGSNLPAYFFKELPKKVMKGVADSGPL
YQYWGRTEK

Ligand information

• Ligand ID: BCT
• InChI: InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
• InChIKey: BVKZGUZCCUSVTD-UHFFFAOYSA-M
• SMILES:
  OpenEye OEToolkits 1.5.0: C(=O)(O)[O-]
  CACTVS 3.341: OC([O-])=O
  ACDLabs 10.04: [O-]C(=O)O
• Formula: C H O3
• Name: BICARBONATE ION
• PDB chain: 4cll Chain A Residue 1470

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4cll Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): K95 L166 V167 R176 F336 M337
• Binding residue (residue number reindexed from 1): K95 L157 V158 R167 F327 M328
• Annotation score: 1

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