Structure of PDB 3cf6 Chain E Binding Site BS01

Receptor Information

>3cf6 Chain E (length=627) Species: 10090 (Mus musculus)

MRMILRKPPGQRTVDDLEIIYDELLHIKALSHLSTTVKRELAGVLIFESH
AKGGTVLFNQGEEGTSWYIILKGSVNVVIYGKGVVCTLHEGDDFGKLALV
NDAPRAASIVLREDNCHFLRVDKEDFNRILRDVEANTVRLKEHDQDVLVL
EKVQKYTVMSGTPEKILEHFLETIRLEPSLNEATDSVLNDFVMMHCVFMP
NTQLCPALVAHYHAQPSQGTEQERMDYALNNKRRVIRLVLQWAAMYGDLL
QEDDVAMAFLEEFYVSVSDDARMMAAFKEQLPELEKIVRQPIRGSDEVLF
KVYCIDHTYTTIRVPVAASVKEVISAVADKLGSGEGLIIVKMNSGGEKVV
LKSNDVSVFTTLTINGRLFACPREQFDSLTPLPEQEGPTTGTVGTFELMS
SKDLAYQMTTYDWELFNCVHELELIYHTFGRHNFKKTTANLDLFLRRFNE
IQFWVVTEVCLCSQLSKRVQLLKKFIKIAAHCKEYKNLNSFFAIVMGLSN
VAVSRLALTWEKLPSKFKKFYAEFESLMDPSRNHRAYRLTAAKLEPPLIP
FMPLLIKDMTFTHEGNKTFIDNLVNFEKMRMIANTARTVRYYRSQPFNHQ
DVRSYVRQLNVIDNQRTLSQMSHRLEP

Ligand information

• Ligand ID: SP1
• InChI: InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)/t4-,6-,7-,10-,21+/m1/s1
• InChIKey: SMPNJFHAPJOHPP-LHKKBNDGSA-N
• SMILES:
  CACTVS 3.341: Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4CO[P@](O)(=S)O[C@H]4[C@H]3O
  ACDLabs 10.04: S=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O
  CACTVS 3.341: Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=S)O[CH]4[CH]3O
  OpenEye OEToolkits 1.5.0: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=S)(O4)O)O)N
  OpenEye OEToolkits 1.5.0: c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=S)(O4)O)O)N
• Formula: C10 H12 N5 O5 P S
• Name: 6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL;
  SP-ADENOSINE-3',5'-CYCLIC-MONOPHOSPHOROTHIOATE
• ChEMBL: CHEMBL1236010
• ZINC: ZINC000013816359
• PDB chain: 3cf6 Chain E Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3cf6 Structure of Epac2 in complex with a cyclic AMP analogue and RAP1B
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): F367 V386 I388 C395 F403 G404 A407 R414 A415 L449 K450 E451 K489
• Binding residue (residue number reindexed from 1): F58 V77 I79 C86 F94 G95 A98 R105 A106 L140 K141 E142 K165
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Tue Dec 3 00:04:01 2024

A problem occurred in a Python script. Here is the sequence of function calls leading up to the error, in the order they occurred.

 /var/www/html/BioLiP/pdb.cgi in <module>()

   1435     title=pdb2title(pdbid)

   1436     if bs.startswith("BS"):

=> 1437         pubmed,uniprot=display_interaction(pdbid,asym_id,bs,title)

   1438     else:

   1439         if lig3:

pubmed = '', uniprot = '', display_interaction = <function display_interaction>, pdbid = '3cf6', asym_id = 'E', bs = 'BS01', title = 'Structure of Epac2 in complex with a cyclic AMP analogue and RAP1B'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3cf6', asym_id='E', bs='BS01', title='Structure of Epac2 in complex with a cyclic AMP analogue and RAP1B')

   1295         display_ec(ec,csaOrig,csaRenu)

   1296     if go:

=> 1297         display_go(go,uniprot,pdbid,asym_id)

   1298     return pubmed,uniprot

   1299 

global display_go = <function display_go>, go = '0005085,0007264', uniprot = '', pdbid = '3cf6', asym_id = 'E'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005085,0007264', uniprot='', pdbid='3cf6', asym_id='E')

    480         '''.replace("$namespace_link",namespace_link

    481           ).replace("$namespace",namespace

=>  482           ).replace("$uniprot",u

    483         ))

    484         for l,(term,name) in enumerate(go2aspect[Aspect]):

u undefined

UnboundLocalError: local variable 'u' referenced before assignment
      args = ("local variable 'u' referenced before assignment",)
      with_traceback = <built-in method with_traceback of UnboundLocalError object>