Structure of PDB 4pcl Chain B Binding Site BS01

Receptor Information
>4pcl Chain B (length=213) Species: 1217107 (Anaplasma phagocytophilum str. HGE1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSKQDEYLNKLFAVDTEGALKAHKTAPSELRMAQLGTVEGQMLQLLIRMA
GIHSIVEVGTCVGFSAICMAHALPSKGHIYTIEKDYENVVTANQNIVNCK
LEDKITVLHGEALAQLNTLKEMAPFDMIFIDANKSSYLAYLNWAKMYIRK
GGLIVADNTFLFGSVFDEHPTEKVSSNAHASMRAFNDELANKEKYLSTII
PTSEGMMVSIKLT
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 chain4pcl Chain B Residue 301 [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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PDB4pcl An O-Methyltransferase Is Required for Infection of Tick Cells by Anaplasma phagocytophilum.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		Q39 L40 G64 C66 S70 E88 K89 A117 D136 N138
Binding residue
(residue number reindexed from 1)		Q34 L35 G59 C61 S65 E83 K84 A112 D131 N133
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Nov 28 19:33:59 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 = '4pcl', asym_id = 'B', bs = 'BS01', title = 'An O-Methyltransferase Is Required for Infection of Tick Cells by Anaplasma phagocytophilum.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4pcl', asym_id='B', bs='BS01', title='An O-Methyltransferase Is Required for Infection of Tick Cells by Anaplasma phagocytophilum.')
   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 = '0008171', uniprot = '', pdbid = '4pcl', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0008171', uniprot='', pdbid='4pcl', 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>