Structure of PDB 3vbi Chain E Binding Site BS02

Receptor Information
>3vbi Chain E (length=186) Species: 699184 (Bacillus cereus SJ1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNSFYSQEELKKIGFLSVGKNVLISKKASIYNPGVISIGNNVRIDDFCIL
SGKVTIGSYSHIAAYTALYGGEVGIEMYDFANISSRTIVYAAIDDFSGNA
LMGPTIPNQYKNVKTGKVILKKHVIIGAHSIIFPNVVIGEGVAVGAMSMV
KESLDDWYIYVGVPVRKIKARKRKIVELENEFLKSM
Ligand information
Ligand ID0FX
InChIInChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(17)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11-,12+,13-,15-/m1/s1
InChIKeyUIVJXHWSIFBBCY-LPGAPTBISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)O)N
CACTVS 3.370C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](O)[CH]1N
OpenEye OEToolkits 1.7.6C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N
CACTVS 3.370C[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N3C=C(C)C(=O)NC3=O)[C@H](O)[C@@H](O)[C@@H]1N
ACDLabs 12.01O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(N)C(O)C3O)C)O)O)C
FormulaC16 H27 N3 O14 P2
NamedTDP-4-amino-4,6-dideoxyglucose
ChEMBL
DrugBank
ZINCZINC000030725213
PDB chain3vbi Chain C Residue 1500 [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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PDB3vbi Structural Studies of AntD: An N-Acyltransferase Involved in the Biosynthesis of d-Anthrose.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y31 S51 Y69 D94
Binding residue
(residue number reindexed from 1)		Y31 S51 Y69 D94
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 22 07:18:36 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 = '3vbi', asym_id = 'E', bs = 'BS02', title = 'Structural Studies of AntD: An N-Acyltransferase Involved in the Biosynthesis of d-Anthrose.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3vbi', asym_id='E', bs='BS02', title='Structural Studies of AntD: An N-Acyltransferase Involved in the Biosynthesis of d-Anthrose.')
   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 = '0016740', uniprot = '', pdbid = '3vbi', asym_id = 'E'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016740', uniprot='', pdbid='3vbi', asym_id='E')
    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>