Structure of PDB 4pca Chain A Binding Site BS02

Receptor Information
>4pca Chain A (length=221) Species: 1217107 (Anaplasma phagocytophilum str. HGE1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHMRNVSLSKQDEYLNKLFAVDTEGALKAHKTAPSELRMAQLGTVEGQM
LQLLIRMAGIHSIVEVGTCVGFSAICMAHALPSKGHIYTIEKDYENVVTA
NQNIVNCKLEDKITVLHGEALAQLNTLKEMAPFDMIFIDANKSSYLAYLN
WAKMYIRKGGLIVADNTFLFGSVFDEHPTEKVSSNAHASMRAFNDELANK
EKYLSTIIPTSEGMMVSIKLT
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 chain4pca Chain A Residue 302 [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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PDB4pca An O-Methyltransferase Is Required for Infection of Tick Cells by Anaplasma phagocytophilum.
Resolution1.5 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)		Q42 L43 G67 C69 S73 E91 K92 A120 D139 N141
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Mon Nov 25 01:44:03 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 = '4pca', asym_id = 'A', bs = 'BS02', title = 'An O-Methyltransferase Is Required for Infection of Tick Cells by Anaplasma phagocytophilum.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4pca', asym_id='A', bs='BS02', 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 = '4pca', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0008171', uniprot='', pdbid='4pca', 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>