Structure of PDB 7p01 Chain A Binding Site BS03

Receptor Information
>7p01 Chain A (length=572) Species: 409370 (Blastobotrys adeninivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QERNTAWWREGTVYQVYPSSFKDSNGDGIGDIPGIISKLDYIKSVGTDIV
WLSPHYKSPQVDMGYDISDYKAIHEPYGTFDDCIKLIQECHDRGLKIIFD
LVVNHTSDQHEWFKQSRSSKSNAKRDWYIWKPAKYDEQGNRIPPNNWESY
FGGSAWEWDEETQEYYLHLFAKEQPDINWRNLQAREAIYKDAILFWLDRG
IDGFRIDTVQIYSKPEDFPDAPERVPGQKLQNPSIIVETGPQLHEILQEM
NRKAFSKYDIMTVGEGSPPSLEKTLEYVSSSRHEIDMLFSFDFGALDHRE
IAHTLNDIDMVEMKETVYRWQRLVGKTDGWTTFFLENHDSGRSISRFASD
ATPEARNRSTKFLAVLQATMSGTLYLYQGQEIGIPNLPDEVPIEEYKDVN
SINYYNAVKEDTKNDPDALKKAKKYLQKVARDHARSPMQWDASKHSGFTD
GEPWMIVNPIYPEVNVAAQEWDADSGLNFWRHILKFRRQHKDVMVYGTLE
VLDKENTKVFTFTKASESGRTFLVALNFTDKAVDYDVDQFASKSTLLLSS
IGNVHHKSGSLQPLEAVIFEIH
Ligand information
Ligand IDAC1
InChIInChI=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
InChIKeyRBZIIHWPZWOIDU-ZCGMLSCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)O)O)O)NC2C=C(C(C(C2O)O)O)CO
CACTVS 3.341C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1N[CH]2C=C(CO)[CH](O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0C[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 10.04OC2C(NC1C=C(CO)C(O)C(O)C1O)C(OC(O)C2O)C
CACTVS 3.341C[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
FormulaC13 H23 N O8
Name4,6-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
ChEMBL
DrugBankDB02218
ZINCZINC000058638973
PDB chain7p01 Chain D Residue 3 [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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PDB7p01 Structural Insight into a Yeast Maltase-The Ba AG2 from Blastobotrys adeninivorans with Transglycosylating Activity.
Resolution2.12 Å
Binding residue
(original residue number in PDB)		D71 Y74 H114 Y159 F179 D216 T217 E274 F300 H347 D348 R440
Binding residue
(residue number reindexed from 1)		D62 Y65 H105 Y150 F170 D207 T208 E265 F291 H338 D339 R431
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 22 13:16:04 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 = '7p01', asym_id = 'A', bs = 'BS03', title = 'Structural Insight into a Yeast Maltase-The Ba A...s adeninivorans with Transglycosylating Activity.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7p01', asym_id='A', bs='BS03', title='Structural Insight into a Yeast Maltase-The Ba A...s adeninivorans with Transglycosylating Activity.')
   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 = '0005975', uniprot = '', pdbid = '7p01', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005975', uniprot='', pdbid='7p01', 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>