Structure of PDB 6sau Chain B Binding Site BS03

Receptor Information

>6sau Chain B (length=442) Species: 89141 (Cordyceps farinosa)

ADTNSWKSRTIYFALTDRVARSASDNGGDGCGQLQDYCGGTFKGLEGKLD
YIKGMGFDAIWITPVVQNSARGYHGYWASNLYATNSHYGTSDELKGLVNA
AHGKGIYIMVDVVANHVGNGPLNEMQPAPLNQGSSYHPACGINYNDQHSI
ETCRVASDLPDLDTTDPKIRTLYKDWIKWLMSTYKFDGVRIDTVKHVEKD
FWPDFAWASGSYTIGEVFSGDPNYVAGYSKLMGGLLNYPVYFPLNRFYQQ
QNSSQALVDMHNQIGSLVPDPTTLGTFLDNHDNPRFLSQKNDVSLFKNAL
TYVLLARGIPIVYYGSEQAYAGGGDPQNREDLWRSRFNTNSDMYKFFQAL
GGVRKSHGGLPGNDHVHLFVESDAYAWSRQDGAVMALTSNIGKGQQRQFC
FFTQKNNKTWRGIFDGKTYTSGGDGKLCATVNNGEPIVFVAQ

Ligand information

• Ligand ID: AC1
• InChI: InChI=1S/C13H23NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2,4,6-21H,3H2,1H3/t4-,6+,7-,8-,9+,10+,11+,12-,13+/m1/s1
• InChIKey: RBZIIHWPZWOIDU-ZCGMLSCUSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC1C(C(C(C(O1)O)O)O)NC2C=C(C(C(C2O)O)O)CO
  CACTVS 3.341: C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1N[CH]2C=C(CO)[CH](O)[CH](O)[CH]2O
  OpenEye OEToolkits 1.5.0: C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO
  ACDLabs 10.04: OC2C(NC1C=C(CO)C(O)C(O)C1O)C(OC(O)C2O)C
  CACTVS 3.341: C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O
• Formula: C13 H23 N O8
• Name: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose;
  6-METHYL-5-(4,5,6-TRIHYDROXY-3-HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-TETRAHYDRO-PYRAN-2,3,4-TRIOL;
  4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucose;
  4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-D-glucose;
  4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-glucose
• DrugBank: DB02218
• ZINC: ZINC000058638973
• PDB chain: 6sau Chain E Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6sau Structural and Functional Characterization of Three Novel Fungal Amylases with Enhanced Stability and pH Tolerance.
• Resolution: 1.35 Å
• Binding residue (original residue number in PDB): Y94 H134 D210 T211 H214 E234 H299 D300
• Binding residue (residue number reindexed from 1): Y76 H116 D192 T193 H196 E216 H281 D282
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Mon Nov 25 12:21:44 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 = '6sau', asym_id = 'B', bs = 'BS03', title = 'Structural and Functional Characterization of Th...mylases with Enhanced Stability and pH Tolerance.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6sau', asym_id='B', bs='BS03', title='Structural and Functional Characterization of Th...mylases with Enhanced Stability and pH Tolerance.')

   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 = '0004556,0005509,0005975,0043169', uniprot = '', pdbid = '6sau', asym_id = 'B'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004556,0005509,0005975,0043169', uniprot='', pdbid='6sau', 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>