Structure of PDB 4d7n Chain A Binding Site BS01

Receptor Information
>4d7n Chain A (length=195) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRLNRESVIDAALELLNETGIDGLTTRKLAQKLGIEQPTLYWHVKNKRAL
LDALAVEILARHHDYSLPAAGESWQSFLRNNAMSFRRALLRYRDGAKVHL
GTRPDEKQYDTVETQLRFMTENGFSLRDGLYAISAVSHFTLGAVLEQQEH
TNLPPLLREALQIMDSDDGEQAFLHGLESLIRGFEVQLTALLQIV
Ligand information
Ligand IDTDC
InChIInChI=1S/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,16,25-27,31H,7H2,1-3H3,(H2,23,30)/t11-,16-,22-/m0/s1
InChIKeyCXCVEERYMJZMMM-DOCRCCHOSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CN(C)[CH]1[CH]2Cc3c(C)c4cccc(O)c4c(O)c3C(=O)[C]2(O)C(=O)C(=C1O)C(N)=O
OpenEye OEToolkits 1.5.0Cc1c2cccc(c2c(c3c1CC4C(C(=C(C(=O)C4(C3=O)O)C(=O)N)O)N(C)C)O)O
CACTVS 3.341CN(C)[C@H]1[C@@H]2Cc3c(C)c4cccc(O)c4c(O)c3C(=O)[C@]2(O)C(=O)C(=C1O)C(N)=O
OpenEye OEToolkits 1.5.0Cc1c2cccc(c2c(c3c1C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)O
ACDLabs 10.04O=C(N)C3=C(O)C(N(C)C)C4Cc2c(c1cccc(O)c1c(O)c2C(=O)C4(O)C3=O)C
FormulaC22 H22 N2 O7
Name5A,6-ANHYDROTETRACYCLINE
ChEMBLCHEMBL1214599
DrugBank
ZINCZINC000013736613
PDB chain4d7n Chain A Residue 222 [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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PDB4d7n Tetracycline Repressor Allostery Does not Depend on Divalent Metal Recognition.
Resolution1.76 Å
Binding residue
(original residue number in PDB)		H64 N82 F86 H100 P105 Q116 I134 S138 V208
Binding residue
(residue number reindexed from 1)		H63 N81 F85 H99 P104 Q115 I133 S137 V195
Annotation score1
Binding affinityMOAD: Ka=23000000M^-1
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Nov 28 05:51:40 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 = '4d7n', asym_id = 'A', bs = 'BS01', title = 'Tetracycline Repressor Allostery Does not Depend on Divalent Metal Recognition.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4d7n', asym_id='A', bs='BS01', title='Tetracycline Repressor Allostery Does not Depend on Divalent Metal Recognition.')
   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 = '4d7n', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003677,0045892,0046677', uniprot='', pdbid='4d7n', 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>