Structure of PDB 7msk Chain B Binding Site BS02

Receptor Information

>7msk Chain B (length=421) Species: 527032 (Bacillus thuringiensis serovar andalousiensis BGSC 4AW1)

ASMETLNDLVTRLEHSHPNSSLLKDLSLIQGNEQYNYIKWGDLSNSQNLN
ELVFQYEKAPYPSITCGILTYNEERCIKRCLDSLGSQFDEILVLDSHSTD
NTTKIINRDFPMVKVIYEPWIDDFSFHRNKLISLTSSEWIYYIDADNYCV
DSTNKFKRVAKLIQFLSIDCIISPMIKEHIGHVYTDNRKMFSVKKGIQFK
GKVHEEPINADGSIPQNITVDIMICHDGYDPEVINLSEKNDRNIKLTRQM
MEEEPSNPKWLYFYARELHYASEDTHIIETLLIKAIDLYKQSTYKRYQPE
AILLLCSILFQKRQIRKLNEYLDLLEELQPLCSDVNYYRSLILFYDIRLK
TGKLLDTLKSSELENNKYSFIDSSKDHIKALLIELYCSIDDWEGAFTLFD
ELQSTEARNKFLRRVKTINTH

Ligand information

• Ligand ID: U2F
• InChI: InChI=1S/C15H23FN2O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9-,10-,11-,12-,13-,14-/m1/s1
• InChIKey: NGTCPFGWXMBZEP-NQQHDEILSA-N
• SMILES:
  ACDLabs 10.04: O=P(OC1OC(C(O)C(O)C1F)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
  OpenEye OEToolkits 1.5.0: C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)F)O)O
  CACTVS 3.341: OC[C@H]1O[C@H](O[P@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@H](F)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)F)O)O
  CACTVS 3.341: OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](F)[CH](O)[CH]1O
• Formula: C15 H23 F N2 O16 P2
• Name: URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE
• ChEMBL: CHEMBL593830
• DrugBank: DB03488
• ZINC: ZINC000016051573
• PDB chain: 7msk Chain B Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7msk Structural and mechanistic investigations of protein S-glycosyltransferases.
• Resolution: 2.06 Å
• Binding residue (original residue number in PDB): L67 T68 Y69 E71 W118 F122 R126 D142 A143 D144 K187 H202 E203 H224 K237
• Binding residue (residue number reindexed from 1): L69 T70 Y71 E73 W120 F124 R128 D144 A145 D146 K189 H204 E205 H226 K239
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Thu Nov 28 10:35:45 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 = '7msk', asym_id = 'B', bs = 'BS02', title = 'Structural and mechanistic investigations of protein S-glycosyltransferases.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7msk', asym_id='B', bs='BS02', title='Structural and mechanistic investigations of protein S-glycosyltransferases.')

   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 = '0018240', uniprot = '', pdbid = '7msk', asym_id = 'B'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0018240', uniprot='', pdbid='7msk', asym_id='B')

    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>