Structure of PDB 3fg5 Chain A Binding Site BS02

Receptor Information
>3fg5 Chain A (length=121) Species: 97228 (Daboia russelii pulchella) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLLEFGKMILEETGKLAIPSYSSYGCYCGWGGKGTPKDATDRCCFVHDCC
YGNLPDCNPKSDRYKYKRVNGAIVCEKGTSCENRICECDKAAAICFRQNL
NTYSKKYMLYPDFLCKGELKC
Ligand information
Ligand IDAJM
InChIInChI=1S/C18H22N2O2/c1-19-11-5-3-2-4-10(11)18-8-13-15(17(18)22)9-6-12(16(18)19)20(13)14(21)7-9/h2-5,9,12-17,21-22H,6-8H2,1H3/t9-,12-,13-,14-,15-,16-,17+,18+/m0/s1
InChIKeyCFEPCEVMXPTZPJ-OGDRVKPDSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CN1[C@H]2[C@@H]3C[C@H]4C[C@H](O)N3[C@H]5C[C@@]2([C@H](O)[C@@H]45)c6ccccc16
CACTVS 3.341CN1[CH]2[CH]3C[CH]4C[CH](O)N3[CH]5C[C]2([CH](O)[CH]45)c6ccccc16
OpenEye OEToolkits 1.5.0C[N@]1c2ccccc2[C@@]34[C@@H]1[C@@H]5C[C@H]6C[C@@H]([N@@]5[C@@H](C3)[C@H]6[C@H]4O)O
ACDLabs 10.04OC2C14c6ccccc6N(C1C5N3C(O)CC(C2C3C4)C5)C
OpenEye OEToolkits 1.5.0CN1c2ccccc2C34C1C5CC6CC(N5C(C3)C6C4O)O
FormulaC18 H22 N2 O2
NameAJMALINE
ChEMBL
DrugBank
ZINCZINC000033821197
PDB chain3fg5 Chain A Residue 134 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fg5 Crystal structure determination of a ternary complex of phospholipase A2 with a pentapeptide FLSYK and Ajmaline at 2.5 A resolution
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D49 Y52
Binding residue
(residue number reindexed from 1)		D48 Y51
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 30 15:35:48 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 = '3fg5', asym_id = 'A', bs = 'BS02', title = 'Crystal structure determination of a ternary com...ntapeptide FLSYK and Ajmaline at 2.5 A resolution'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3fg5', asym_id='A', bs='BS02', title='Crystal structure determination of a ternary com...ntapeptide FLSYK and Ajmaline at 2.5 A resolution')
   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 = '0004623,0005509,0006644,0016042,0050482', uniprot = '', pdbid = '3fg5', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004623,0005509,0006644,0016042,0050482', uniprot='', pdbid='3fg5', 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>