Structure of PDB 4clw Chain A Binding Site BS02

Receptor Information
>4clw Chain A (length=458) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNTPKEEFQDWPIVRIAAHLPDLIVYGHFSPERPFMDYFDGVLMFVDISG
FTAMTEKFSSAMYMDRGAEQLVEILNYHISAIVEKVLIFGGDILKFAGDA
LLALWRVERKQLKNIITVVIKCSLEIHGLFLDIRVKIGLAAGHISMLVFG
DETHSHFLVIGQAVDDVRLAQNMAQMNDVILSPNCWQLCDRSMIEIESVP
DQRAVKVNFLKPPPNFNFDEFFTKCTTFMHYYPSGEHKNLLRLACTLKPD
PELEMSLQKYVMESILKQIDNKQLQGYLSELRPVTIVFVNLMFEDQDKAE
EIGPAIQDAYMHITSVLKIFQGQINKVFMFDKGCSFLCVFGFPGEKVPDE
LTHALECAMDIFDFCSQVHKIQTVSIGVASGIVFCGIVGHTVRHEYTVIG
QKVNLAARMMMYYPGIVTCDSVTYNGSNLPAYFFKELPKKVMKGVADSGP
LYQYWGRT
Ligand information
Ligand IDSO3
InChIInChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2
InChIKeyLSNNMFCWUKXFEE-UHFFFAOYSA-L
SMILES
SoftwareSMILES
CACTVS 3.341[O-][S]([O-])=O
OpenEye OEToolkits 1.5.0[O-]S(=O)[O-]
ACDLabs 10.04[O-]S([O-])=O
FormulaO3 S
NameSULFITE ION
ChEMBL
DrugBank
ZINC
PDB chain4clw Chain A Residue 1468 [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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PDB4clw Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		K95 L166 V167
Binding residue
(residue number reindexed from 1)		K95 L158 V159
Annotation score1
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

View graph for
Biological Process
External links
PDB RCSB:4clw, PDBe:4clw, PDBj:4clw
PDBsum4clw
PubMed24567411
UniProtQ96PN6|ADCYA_HUMAN Adenylate cyclase type 10 (Gene Name=ADCY10)

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