Structure of PDB 3ti0 Chain A Binding Site BS03

Receptor Information

>3ti0 Chain A (length=579) Species: 129337 (Geobacillus)

KMAFTLADRVTEEMLADKAALVVEVVEENYHDAPIVGIAVVNEHGRFFLR
PETALADPQFVAWLGDETKKKSMFDSKRAAVALKWKGIELCGVSFDLLLA
AYLLDPAQGVDDVAAAAKMKQYEAVRPDEAVYGKGAKRAVPDEPVLAEHL
VRKAAAIWELERPFLDELRRNEQDRLLVELEQPLSSILAEMEFAGVKVDT
KRLEQMGKELAEQLGTVEQRIYELAGQEFNINSPKQLGVILFEKLQLPVL
KKTKTGYSTSADVLEKLAPYHEIVENILHYRQLGKLQSTYIEGLLKVVRP
ATKKVHTIFNQALTQTGRLSSTEPNLQNIPIRLEEGRKIRQAFVPSESDW
LIFAADYSQIELRVLAHIAEDDNLMEAFRRDLDIHTKTAMDIFQVSEDEV
TPNMRRQAKAVNYGIVYGISDYGLAQNLNISRKEAAEFIERYFESFPGVK
RYMENIVQEAKQKGYVTTLLHRRRYLPDITSRNFNVRSFAERMAMNTPIQ
GSAADIIKKAMIDLNARLKEERLQAHLLLQVHDELILEAPKEEMERLCRL
VPEVMEQAVTLRVPLKVDYHYGSTWYDAK

Ligand information

• Ligand ID: DG3
• InChI: InChI=1S/C10H16N5O12P3/c11-10-13-8-7(9(16)14-10)12-4-15(8)6-2-1-5(25-6)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h4-6H,1-3H2,(H,20,21)(H,22,23)(H2,17,18,19)(H3,11,13,14,16)/t5-,6+/m0/s1
• InChIKey: HDRRAMINWIWTNU-NTSWFWBYSA-N
• SMILES:
  CACTVS 3.341: NC1=Nc2n(cnc2C(=O)N1)[C@H]3CC[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)O3
  OpenEye OEToolkits 1.5.0: c1nc2c(n1[C@H]3CC[C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N=C(NC2=O)N
  CACTVS 3.341: NC1=Nc2n(cnc2C(=O)N1)[CH]3CC[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3
  OpenEye OEToolkits 1.5.0: c1nc2c(n1C3CCC(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=C(NC2=O)N
• Formula: C10 H16 N5 O12 P3
• Name: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE
• ChEMBL: CHEMBL54224
• ZINC: ZINC000013516810
• PDB chain: 3ti0 Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ti0 Structural evidence for the rare tautomer hypothesis of spontaneous mutagenesis.
• Resolution: 1.62 Å
• Binding residue (original residue number in PDB): R615 D653 Y654 S655 Q656 I657 E658 H682 R702 K706 Y710 Y714 D830
• Binding residue (residue number reindexed from 1): R318 D356 Y357 S358 Q359 I360 E361 H385 R405 K409 Y413 Y417 D533
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Tue Nov 26 16:17:50 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 = '3ti0', asym_id = 'A', bs = 'BS03', title = 'Structural evidence for the rare tautomer hypothesis of spontaneous mutagenesis.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3ti0', asym_id='A', bs='BS03', 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 = '3ti0', asym_id = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003676,0003677,0003887,0006139,0006260,0006261,0008408', uniprot='', pdbid='3ti0', 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>