Structure of PDB 4f3k Chain A Binding Site BS02

Receptor Information
>4f3k Chain A (length=230) Species: 904139 (Salmonella enterica subsp. enterica serovar Choleraesuis str. SCSA50) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKIGIIGAMEEEVTLLRDKIDNRQTITLGGCEIYTGQLNGTEVALLKSGI
GKVAAALGATLLLEHCKPDVIINTGSAGGLASTLKVGDIVVSDETRYHDA
DVTAFGYEYGQLPGCPAGFKADDKLIAAAESCIRELNLNAVRGLIVSGDA
FINGSVGLAKIRHNFPDAVAVEMEATAIAHVCHNFNVPFVVVRAISDVAD
QQSHLSFDEFLAVAAKQSTLMVETLVQKLA
Ligand information
Ligand IDHCE
InChIInChI=1S/C16H24N6O3S/c17-11(16(24)25)1-2-26-7-10-5-22(6-12(10)23)4-9-3-19-14-13(9)20-8-21-15(14)18/h3,8,10-12,19,23H,1-2,4-7,17H2,(H,24,25)(H2,18,20,21)/t10-,11+,12+/m1/s1
InChIKeyDQWJHDQQDUJDLQ-WOPDTQHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1c(c2c([nH]1)c(ncn2)N)CN3CC(C(C3)O)CSCCC(C(=O)O)N
OpenEye OEToolkits 1.7.6c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCC[C@@H](C(=O)O)N
CACTVS 3.370N[CH](CCSC[CH]1CN(C[CH]1O)Cc2c[nH]c3c(N)ncnc23)C(O)=O
CACTVS 3.370N[C@@H](CCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c(N)ncnc23)C(O)=O
ACDLabs 12.01O=C(O)C(N)CCSCC3CN(Cc2cnc1c2ncnc1N)CC3O
FormulaC16 H24 N6 O3 S
Name{(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-L-methionine;
homocysteine-DADMe-Immucillin-A
ChEMBL
DrugBank
ZINCZINC000095920642
PDB chain4f3k 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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PDB4f3k Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with homocysteine-DADMe-Immucillin-A
Resolution1.85 Å
Binding residue
(original residue number in PDB)		F105 Y107
Binding residue
(residue number reindexed from 1)		F105 Y107
Annotation score1
Binding affinityMOAD: Ki=69pM
PDBbind-CN: -logKd/Ki=10.16,Ki=69.0pM
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Wed Nov 27 05:07:57 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 = '4f3k', asym_id = 'A', bs = 'BS02', title = "Crystal structure of 5'-methylthioadenosine/S-ad...la enterica with homocysteine-DADMe-Immucillin-A "
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4f3k', asym_id='A', bs='BS02', title="Crystal structure of 5'-methylthioadenosine/S-ad...la enterica with homocysteine-DADMe-Immucillin-A ")
   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 = '0003824,0008782,0008930,0009116,0009164,0019509', uniprot = '', pdbid = '4f3k', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003824,0008782,0008930,0009116,0009164,0019509', uniprot='', pdbid='4f3k', 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>