Structure of PDB 4ust Chain A Binding Site BS02

Receptor Information

>4ust Chain A (length=457) Species: 9606 (Homo sapiens)

MNTPKEEFQDWPIVRIAAHLPDLIVYGHFSPERPFMDYFDGVLMFVDISG
FTAMTEKFSSAMYMDRGAEQLVEILNYHISAIVEKVLIFGGDILKFAGDA
LLALWRVERKQLKNIITVVIKCSLEIHGLFIRVKIGLAAGHISMLVFGDE
THSHFLVIGQAVDDVRLAQNMAQMNDVILSPNCWQLCDRSMIEIESVPDQ
RAVKVNFLKPPPNFNFDEFFTKCTTFMHYYPSGEHKNLLRLACTLKPDPE
LEMSLQKYVMESILKQIDNKQLQGYLSELRPVTIVFVNLMFEDQDKAEEI
GPAIQDAYMHITSVLKIFQGQINKVFMFDKGCSFLCVFGFPGEKVPDELT
HALECAMDIFDFCSQVHKIQTVSIGVASGIVFCGIVGHTVRHEYTVIGQK
VNLAARMMMYYPGIVTCDSVTYNGSNLPAYFFKELPKKVMKGVADSGPLY
QYWGRTE

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: 4ust Chain A Residue 1471

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ust Structural Analysis of Human Soluble Adenylyl Cyclase and Crystal Structures of its Nucleotide Complexes -Implications for Cyclase Catalysis and Evolution.
• Resolution: 1.9 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:4ust, PDBe:4ust, PDBj:4ust
• PDBsum: 4ust
• PubMed: 25040695
• UniProt: Q96PN6|ADCYA_HUMAN Adenylate cyclase type 10 (Gene Name=ADCY10)