Structure of PDB 4uw0 Chain A Binding Site BS01

Receptor Information
>4uw0 Chain A (length=501) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LNTLVSELPEIYQTIFGHPEWDGDAARDCNQRLDLITEQYDNLSRALGRP
LNVLDLGCAQGFFSLSLASKGATIVGIDFQQENINVCRALAEENPDFAAE
FRVGRIEEVIAALEEGEFDLAIGLSVFHHIVHLHGIDEVKRLLSRLADVT
QAVILELAVKEEPLYWGVSQPDDPRELIEQCAFYRLIGEFDTHLSPVPRP
MYLVSNHRVLINDFNQPFQHWQNQPYAGAGLAHKRSRRYFFGEDYVCKFF
YYDMPHGILTAEESQRNKHELHNEIKFLTQPPAGFDAPAVLAHGENAQSG
WLVMEKLPGRLLSDMLAAGEEIDREKILGSLLRSLAALEKKGFWHDDVRP
WNVMVDARQHARLIDFGSIVTTPQDCSWPTNLVQSFFVFVNELFAENKSW
NGFWRSAPVHPFNLPQPWSNWLYAVWQEPVERWNFALLLALFEKKAKLPS
AEQQRGATEQWIIAQETVLLELQSRVRNESAGSEALRGQIHTLEQQMAQL
Q
Ligand information
Ligand IDSAM
InChIInChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
InChIKeyMEFKEPWMEQBLKI-FCKMPRQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
ACDLabs 10.04[O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC15 H22 N6 O5 S
NameS-ADENOSYLMETHIONINE
ChEMBLCHEMBL1235831
DrugBank
ZINC
PDB chain4uw0 Chain A Residue 1506 [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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PDB4uw0 A Coiled-Coil Domain Acts as a Molecular Ruler to Regulate O-Antigen Chain Length in Lipopolysaccharide.
Resolution3.87 Å
Binding residue
(original residue number in PDB)		Y16 Q17 G61 F67 D82 F83 R109 I110 E111 L128 S129 I134
Binding residue
(residue number reindexed from 1)		Y12 Q13 G57 F63 D78 F79 R105 I106 E107 L124 S125 I130
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Feb 20 20:21:04 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 = '4uw0', asym_id = 'A', bs = 'BS01', title = 'A Coiled-Coil Domain Acts as a Molecular Ruler t...ate O-Antigen Chain Length in Lipopolysaccharide.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4uw0', asym_id='A', bs='BS01', title='A Coiled-Coil Domain Acts as a Molecular Ruler t...ate O-Antigen Chain Length in Lipopolysaccharide.')
   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 = '0004672,0005524,0006468', uniprot = '', pdbid = '4uw0', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004672,0005524,0006468', uniprot='', pdbid='4uw0', 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>