Structure of PDB 7qe2 Chain B Binding Site BS01

Receptor Information

>7qe2 Chain B (length=739) Species: 32644 (unidentified)

EQPELEARVKEIIEVDGYQFRDLNDNGELDPYEDWRLPTPERVADLVGQM
SLVEKSGLMLINTLNAACDPQTGEFGVLPAQADNYINTQHMHRFVFRNVV
DVRAEGVECTGTGTPVVSPAEAATFTNAVQEMSEATRLGIPSLFKSNARN
HIDPAAGAFSAFPKEAGIAAAALGEQARRTGEATTGDMSVVADFADVMGE
EWASIGLRGMYGYMADLSTEPRWYRTHETFTEDAYLAAEIMETLVQTLQG
EELTDNGLALSPQTRVALTLKHFPGGGPQELGLDPHYAFGKAQVYPAGRF
EEHFLPFQAAIDAGVSSIMPYYGVPVDVPVVGGEPGETYPHTGFAFSDSI
VNGLLRDQLGFTGYVNSDTGIINDRAWGLEGNTVPERVAAAINGGTDTLS
GFSDVSVITDLYEADLISEERIDLAAERLLEPLFDMGLFENPYVDPDVAT
ATVGADDHRAVGLDLQRKSLVLLQNEETDEGPVLPLKEGGDVYILGDFTE
ETVESYGYEVTNGNVAEGEERPSAAGSDYVLISMTAKTNAGDYVSDDPSL
GLNPDHGTNPSVIIGDDGEPLPGLDGQSLWGAADVCVHKEGHEENPSCTD
NRLRFGGAYPWESSILDFTGMEAAESWEVVPSLETIQEVMAEVEDPSKVI
LHVYFRQPYVLDEESGLRDAGAILAGFGMTDTALMDVLTGAYAPQGKLPF
ALAGTREAIIEQDSDRPGYDETEDGALYPFGYGLTYEDD

Ligand information

• Ligand ID: BDP
• InChI: InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1
• InChIKey: AEMOLEFTQBMNLQ-QIUUJYRFSA-N
• SMILES:
  OpenEye OEToolkits 1.7.0: [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O
  OpenEye OEToolkits 1.7.0: C1(C(C(OC(C1O)O)C(=O)O)O)O
  CACTVS 3.370: O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
  ACDLabs 12.01: O=C(O)C1OC(O)C(O)C(O)C1O
  CACTVS 3.370: O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
• Formula: C6 H10 O7
• Name: beta-D-glucopyranuronic acid;
  beta-D-glucuronic acid;
  D-glucuronic acid;
  glucuronic acid
• ChEMBL: CHEMBL1159524
• DrugBank: DB03156
• ZINC: ZINC000004097543
• PDB chain: 7qe2 Chain B Residue 801

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7qe2 Functional metagenomic screening identifies an unexpected beta-glucuronidase.
• Resolution: 2.15 Å
• Binding residue (original residue number in PDB): R136 N186 Y258 R272 K318 H319 H333 Y369 D415 T416
• Binding residue (residue number reindexed from 1): R97 N147 Y211 R225 K271 H272 H286 Y322 D368 T369
• Annotation score: 4

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Tue Dec 3 05:31:13 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 = '7qe2', asym_id = 'B', bs = 'BS01', title = 'Functional metagenomic screening identifies an unexpected beta-glucuronidase.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7qe2', asym_id='B', bs='BS01', title='Functional metagenomic screening identifies an unexpected beta-glucuronidase.')

   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 = '0004553,0005975', uniprot = '', pdbid = '7qe2', asym_id = 'B'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004553,0005975', uniprot='', pdbid='7qe2', asym_id='B')

    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>