Structure of PDB 2w90 Chain A Binding Site BS01

Receptor Information
>2w90 Chain A (length=470) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMAKHQIGVIGLAVMGKNLALNIESKGYSVAVYNRLREKTDEFLQEAKGK
NIVGTYSIEEFVNALEKPRKILLMVKAGAPTDATIEQLKPHLEKGDIVID
GGNTYFKDTQRRNKELAELGIHFIGTGVSGGEEGALKGPSIMPGGQKEAH
ELVRPIFEAIAAKVDGEPCTTYIGPDGAGHYVKMVHNGIEYGDMQLIAEA
YFLLKHVLGMDAAELHEVFADWNKGELNSYLIEITADIFTKIDEETGKPL
VDVILDKAGQKGTGKWTSQNALDLGVPLPIITESVFARFLSAMKDERVKA
SKVLAGPAVKPFEGDRAHFIEAVRRALYMSKICSYAQGFAQMKAASEEYN
WNLRYGDIAMIFRGGCIIRAQFLQKIKEAYDRDPALSNLLLDSYFKDIVE
RYQDALREIVATAAMRGIPVPGSASALAYYDSYRTAVLPANLIQAQRDYF
GAHTYERVDKEGIFHTEWLK
Ligand information
Ligand ID6PG
InChIInChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1
InChIKeyBIRSGZKFKXLSJQ-SQOUGZDYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)C(O)C(=O)O
OpenEye OEToolkits 1.5.0C(C(C(C(C(C(=O)O)O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)C(O)=O
FormulaC6 H13 O10 P
Name6-PHOSPHOGLUCONIC ACID
ChEMBLCHEMBL1230513
DrugBankDB02076
ZINCZINC000001532623
PDB chain2w90 Chain A Residue 500 [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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PDB2w90 Geobacillus Stearothermophilus 6-Phosphogluconate Dehydrogenase, Complexed with 6-Phosphogluconate.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		S128 K182 N186 E189 Y190 Q259 K260
Binding residue
(residue number reindexed from 1)		S129 K183 N187 E190 Y191 Q260 K261
Annotation score5
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Tue Apr 15 17:25:15 2025

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 = '2w90', asym_id = 'A', bs = 'BS01', title = 'Geobacillus Stearothermophilus 6-Phosphogluconate Dehydrogenase, Complexed with 6-Phosphogluconate.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='2w90', asym_id='A', bs='BS01', title='Geobacillus Stearothermophilus 6-Phosphogluconate Dehydrogenase, Complexed with 6-Phosphogluconate.')
   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 = '0004616,0006098,0050661', uniprot = '', pdbid = '2w90', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004616,0006098,0050661', uniprot='', pdbid='2w90', 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>