Structure of PDB 8u66 Chain F Binding Site BS01

Receptor Information
>8u66 Chain F (length=448) Species: 1239 (Bacillota) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FVAGVQPYRKTYYEPGYEPKETDLLCAFRIEPSPGIPLEEAAAAVAAESS
TGTWTEVWSQEMTDLHRYKGRCYAIDGNTAYIAYPLDLFEEGSIVNVMSS
IVGNVFGFKAVRALRLLDMRIPTAYLKTFPGPPTGIAQERDRLKVYHRPL
LGGTIKPKLGLGPKEFARVVYECLVGGLDTTKDDENLNSQPFCRWRDRYL
YVMDAVHRAEEETGEAKGHWLNVTAGDTEEMLRRAEFAKEVGSRYIMVDF
LTAGFSAYATLRRRAEELGLMIHCHRAMHAVFTRPKDHGIHFRVVAKWLR
MAGGDHVHTGTVVGKLEGAREEVRGIADLLREEFVPANPQRGLLFDQPWA
GLKPLFPVASGGIHVWHVPDLVSIYGNDAFFLFGGGTHGHPRGSRAGARA
NRAAVEAVAAAYREGRDILAEGRQILQDAARTCPELREAMELWEGVTF
Ligand information
Ligand IDCAP
InChIInChI=1S/C6H14O13P2/c7-3(1-18-20(12,13)14)4(8)6(11,5(9)10)2-19-21(15,16)17/h3-4,7-8,11H,1-2H2,(H,9,10)(H2,12,13,14)(H2,15,16,17)/t3-,4-,6-/m1/s1
InChIKeyITHCSGCUQDMYAI-ZMIZWQJLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(C(COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)[C](O)(CO[P](O)(O)=O)C(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)(C(=O)O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@](O)(CO[P](O)(O)=O)C(O)=O
FormulaC6 H14 O13 P2
Name2-CARBOXYARABINITOL-1,5-DIPHOSPHATE
ChEMBL
DrugBank
ZINC
PDB chain8u66 Chain E Residue 502 [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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PDB8u66 Deep-branching evolutionary intermediates reveal structural origins of form I rubisco
Resolution2.21 Å
Binding residue
(original residue number in PDB)
T58 W59 N109
Binding residue
(residue number reindexed from 1)
T53 W54 N104
Annotation score2
Gene Ontology
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UnboundLocalError
Python 3.6.8: /usr/bin/python3
Sat Nov 16 06:38:44 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 = '8u66', asym_id = 'F', bs = 'BS01', title = 'Deep-branching evolutionary intermediates reveal structural origins of form I rubisco'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8u66', asym_id='F', bs='BS01', title='Deep-branching evolutionary intermediates reveal structural origins of form I rubisco')
   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 = '0000287,0015977,0016984', uniprot = '', pdbid = '8u66', asym_id = 'F'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0000287,0015977,0016984', uniprot='', pdbid='8u66', asym_id='F')
    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>