Structure of PDB 6rxb Chain D Binding Site BS01

Receptor Information
>6rxb Chain D (length=190) Species: 509173 (Acinetobacter baumannii AYE) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDKGTVIAAALELLNEVGMDSLTTRKLAERLKVQQPALYWHFQNKRALLD
ALAEAMLAERHTRSLPEENEDWRVFLKENALSFRTALLSYRDGARIHAGT
RPTEPNFGTAETAIRFLCAEGFCPKRAVWALRAVSHYVVGSVLEQQASDA
DELHDLFHELMDAAFNFGLDSLIAGFERLRSSTTDHHHHH
Ligand information
Ligand IDMIY
InChIInChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1
InChIKeyDYKFCLLONBREIL-KVUCHLLUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN(C)c1ccc(c2c1CC3CC4C(C(=C(C(=O)C4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O
CACTVS 3.341CN(C)[CH]1[CH]2C[CH]3Cc4c(ccc(O)c4C(=O)C3=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O)N(C)C
ACDLabs 10.04O=C(N)C1=C(O)C(N(C)C)C2CC4C(=C(O)C2(O)C1=O)C(=O)c3c(c(ccc3O)N(C)C)C4
OpenEye OEToolkits 1.5.0CN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O
CACTVS 3.341CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(N)=O)N(C)C
FormulaC23 H27 N3 O7
Name(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE;
MINOCYCLINE
ChEMBLCHEMBL1434
DrugBankDB01017
ZINCZINC000014879992
PDB chain6rxb Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6rxb Binding of Tetracyclines to Acinetobacter baumannii TetR Involves Two Arginines as Specificity Determinants
Resolution2.25 Å
Binding residue
(original residue number in PDB)		H64 N82 F86 H100 R104 P105 L134 R135 S138
Binding residue
(residue number reindexed from 1)		H61 N79 F83 H97 R101 P102 L131 R132 S135
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Nov 28 05:31:34 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 = '6rxb', asym_id = 'D', bs = 'BS01', title = 'Binding of Tetracyclines to Acinetobacter bauman...nvolves Two Arginines as Specificity Determinants'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6rxb', asym_id='D', bs='BS01', title='Binding of Tetracyclines to Acinetobacter bauman...nvolves Two Arginines as Specificity Determinants')
   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 = '0003677,0045892,0046677', uniprot = '', pdbid = '6rxb', asym_id = 'D'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003677,0045892,0046677', uniprot='', pdbid='6rxb', asym_id='D')
    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>