Structure of PDB 3tan Chain A Binding Site BS05

Receptor Information

>3tan Chain A (length=580) Species: 129337 (Geobacillus)

AKMAFTLADRVTEEMLADKAALVVEVVEENYHDAPIVGIAVVNEHGRFFL
RPETALADPQFVAWLGDETKKKSMFDSKRAAVALKWKGIELCGVSFDLLL
AAYLLDPAQGVDDVAAAAKMKQYEAVRPDEAVYGKGAKRAVPDEPVLAEH
LVRKAAAIWELERPFLDELRRNEQDRLLVELEQPLSSILAEMEFAGVKVD
TKRLEQMGKELAEQLGTVEQRIYELAGQEFNINSPKQLGVILFEKLQLPV
LKKTKTGYSTSADVLEKLAPYHEIVENILHYRQLGKLQSTYIEGLLKVVR
PDTKKVHTIFNQALTQTGRLSSTEPNLQNIPIRLEEGRKIRQAFVPSESD
WLIFAADYSQIELRVLAHIAEDDNLMEAFRRDLDIHTKTAMDIFQVSEDE
VTPNMRRQAKAVNFGIVYGISDYGLAQNLNISRKEAAEFIERYFESFPGV
KRYMENIVQEAKQKGYVTTLLHRRRYLPDITSRNFNVRSFAERMAMNTPI
QGSAADIIKKAMIDLNARLKEERLQAHLLLQVHDELILEAPKEEMERLCR
LVPEVMEQAVTLRVPLKVDYHYGSTWYDAK

Ligand information

• Ligand ID: DCP
• InChI: InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
• InChIKey: RGWHQCVHVJXOKC-SHYZEUOFSA-N
• SMILES:
  ACDLabs 10.04: O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2O
  OpenEye OEToolkits 1.5.0: C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
  CACTVS 3.341: NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[P@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)O2
  OpenEye OEToolkits 1.5.0: C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O
  CACTVS 3.341: NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2
• Formula: C9 H16 N3 O13 P3
• Name: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE
• ChEMBL: CHEMBL560403
• DrugBank: DB03258
• ZINC: ZINC000008215945
• PDB chain: 3tan Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3tan Structural evidence for the rare tautomer hypothesis of spontaneous mutagenesis.
• Resolution: 1.53 Å
• Binding residue (original residue number in PDB): E469 Q470 D471 R472 L473 L767 H768
• Binding residue (residue number reindexed from 1): E173 Q174 D175 R176 L177 L471 H472
• Annotation score: 4

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Tue Feb 18 10:26:27 2025

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 = '3tan', asym_id = 'A', bs = 'BS05', title = 'Structural evidence for the rare tautomer hypothesis of spontaneous mutagenesis.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3tan', asym_id='A', bs='BS05', title='Structural evidence for the rare tautomer hypothesis of spontaneous mutagenesis.')

   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 = '0003676,0003677,0003887,0006139,0006260,0006261,0008408', uniprot = '', pdbid = '3tan', asym_id = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003676,0003677,0003887,0006139,0006260,0006261,0008408', uniprot='', pdbid='3tan', 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>