Structure of PDB 8u66 Chain D Binding Site BS03

Receptor Information
>8u66 Chain D (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 D 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)		T159 K161 K187 D189 E190 R281 H313 K320 L321 S365 G366 G389 G390
Binding residue
(residue number reindexed from 1)		T154 K156 K182 D184 E185 R276 H308 K315 L316 S360 G361 G384 G385
Annotation score2
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 06:21:27 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 = 'D', bs = 'BS03', 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='D', bs='BS03', 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 = 'D'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0000287,0015977,0016984', uniprot='', pdbid='8u66', asym_id='D')
    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>