Structure of PDB 8sg0 Chain A Binding Site BS02

Receptor Information

>8sg0 Chain A (length=358) Species: 468946 (Myrciaria dubia)

TYENLEREPYWPSEKLRISITGAGGFIASHIARRLKSEGHYIIASDWKKN
EHMTEDMFCHEFHLVDLRVMDNCLKVTKGVDHVFNLAADMGGMGFIQSNH
SVIMYNNTMISFNMLEAARINGVKRFFYASSACIYPEFKQLETNVSLKES
DAWPAEPQDAYGLEKLATEELCKHYTKDFGIECRIGRFHNIYGPFGTWKG
GREKAPAAFCRKTLTSTDKFEMWGDGLQTRSFTFIDECVEGVLRLTKSDF
REPVNIGSDEMVSMNEMAEIVLGFENKNLPIHHIPGPEGVRGRNSDNTLI
KEKLGWAPTMRLRDGLRITYFWIKEQIEKEKAQGMDLSIYGSSKVVGTQA
PVQLGSLR

Ligand information

• Ligand ID: GDD
• InChI: InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1
• InChIKey: MVMSCBBUIHUTGJ-GDJBGNAASA-N
• SMILES:
  CACTVS 3.341: NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O
  ACDLabs 10.04: O=P(OC1OC(C(O)C(O)C1O)CO)(O)OP(=O)(O)OCC4OC(n2c3N=C(N)NC(=O)c3nc2)C(O)C4O
  OpenEye OEToolkits 1.5.0: c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)N=C(NC2=O)N
  OpenEye OEToolkits 1.5.0: c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N
  CACTVS 3.341: NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O
• Formula: C16 H25 N5 O16 P2
• Name: GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE
• ZINC: ZINC000008215581
• PDB chain: 8sg0 Chain A Residue 404

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8sg0 Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit Camu-Camu.
• Resolution: 1.25 Å
• Binding residue (original residue number in PDB): M102 G103 G104 M105 S143 C145 Y173 N202 K216 A217 A220 F221 K224 W235 Q240 R242 M276 P299 E300 R305 S355
• Binding residue (residue number reindexed from 1): M90 G91 G92 M93 S131 C133 Y161 N190 K204 A205 A208 F209 K212 W223 Q228 R230 M264 P287 E288 R293 S343
• Annotation score: 4

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Sat Nov 30 15:40:40 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 = '8sg0', asym_id = 'A', bs = 'BS02', title = 'Structural insights into the Smirnoff-Wheeler pa...tamin C production in the Amazon fruit Camu-Camu.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8sg0', asym_id='A', bs='BS02', title='Structural insights into the Smirnoff-Wheeler pa...tamin C production in the Amazon fruit Camu-Camu.')

   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 = '0047918,0051287', uniprot = '', pdbid = '8sg0', asym_id = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0047918,0051287', uniprot='', pdbid='8sg0', asym_id='A')

    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>