Structure of PDB 7twk Chain B Binding Site BS01

Receptor Information
>7twk Chain B (length=392) Species: 1033263 (Mycena rosella) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPGSLTIAGSGIASIGHITLETLALIKEADKIFYAVTDPATECYIQENSR
GDHFDLTTFYDTNKKRYESYVQMSEVMLRDVRAGRNVLGIFYGHPGVFVA
PSHRAIAIAREEGFQAKMLPGISAEDYMFADLGFDPSTYGCMTQEATELL
VRNKKLDPSIHNIIWQVGSVGVDTMVFDNGKFHLLVERLEKDFGLDHKIQ
HYIGAILPQSVTVKDTFAIRDLRKEEVLKQFTTTSTFYVPPRTPAPIDPK
AVQALGLPATVTKGAQDWTGFQSVSPAYGPDEMRAVAALDSFVPSQEKAV
VHASRAMQSLMVDLALRPALLEQYKADPVAFANTRNGLTAQEKFALGLKK
PGPIFVVMRQLPSAIASGQEPSQEEIARADDATAFIIIYIVQ
Ligand information
Ligand IDSAH
InChIInChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
FormulaC14 H20 N6 O5 S
NameS-ADENOSYL-L-HOMOCYSTEINE
ChEMBLCHEMBL418052
DrugBankDB01752
ZINCZINC000004228232
PDB chain7twk Chain B Residue 501 [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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PDB7twk Bioconjugate Platform for Iterative Backbone N -Methylation of Peptides.
Resolution1.79 Å
Binding residue
(original residue number in PDB)		Y99 H101 V104 F105 S130 A131 W172 Q173 Y209 I210 G211 T241 S242 T243
Binding residue
(residue number reindexed from 1)		Y92 H94 V97 F98 S123 A124 W165 Q166 Y202 I203 G204 T234 S235 T236
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Dec 12 23:43:29 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 = '7twk', asym_id = 'B', bs = 'BS01', title = 'Bioconjugate Platform for Iterative Backbone N -Methylation of Peptides.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7twk', asym_id='B', bs='BS01', title='Bioconjugate Platform for Iterative Backbone N -Methylation of Peptides.')
   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 = '0008168', uniprot = '', pdbid = '7twk', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0008168', uniprot='', pdbid='7twk', 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>