Structure of PDB 3f0v Chain X Binding Site BS02

Receptor Information
>3f0v Chain X (length=157) Species: 273036 (Staphylococcus aureus RF122) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESI
GKPLPNRRNVVLTSDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLYEE
MIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHT
FLHLIRK
Ligand information
Ligand ID52V
InChIInChI=1S/C24H26N4O/c1-14(9-10-21-17(4)27-24(26)28-23(21)25)18-11-19(13-20(12-18)29-5)22-15(2)7-6-8-16(22)3/h6-8,11-14H,1-5H3,(H4,25,26,27,28)/t14-/m1/s1
InChIKeyXZXVRKHUCSXVBM-CQSZACIVSA-N
SMILES
SoftwareSMILES
CACTVS 3.341COc1cc(cc(c1)c2c(C)cccc2C)[CH](C)C#Cc3c(C)nc(N)nc3N
CACTVS 3.341COc1cc(cc(c1)c2c(C)cccc2C)[C@H](C)C#Cc3c(C)nc(N)nc3N
ACDLabs 10.04C(#CC(c2cc(c1c(cccc1C)C)cc(OC)c2)C)c3c(nc(nc3C)N)N
OpenEye OEToolkits 1.5.0Cc1cccc(c1c2cc(cc(c2)OC)C(C)C#Cc3c(nc(nc3N)N)C)C
OpenEye OEToolkits 1.5.0Cc1cccc(c1c2cc(cc(c2)OC)[C@H](C)C#Cc3c(nc(nc3N)N)C)C
FormulaC24 H26 N4 O
Name5-[(3S)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
ChEMBLCHEMBL576976
DrugBank
ZINCZINC000040860443
PDB chain3f0v Chain X Residue 158 [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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PDB3f0v Crystallographic Complexes of Wildtype and Mutant MRSA DHFR Reveal Interactions for Lead Design
Resolution2.35 Å
Binding residue
(original residue number in PDB)		L5 V6 A7 D27 L28 V31 M42 I50 L54 F92
Binding residue
(residue number reindexed from 1)		L5 V6 A7 D27 L28 V31 M42 I50 L54 F92
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Feb 20 20:54:30 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 = '3f0v', asym_id = 'X', bs = 'BS02', title = 'Crystallographic Complexes of Wildtype and Mutant MRSA DHFR Reveal Interactions for Lead Design'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3f0v', asym_id='X', bs='BS02', title='Crystallographic Complexes of Wildtype and Mutant MRSA DHFR Reveal Interactions for Lead Design')
   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 = '0004146,0046654,0050661', uniprot = '', pdbid = '3f0v', asym_id = 'X'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004146,0046654,0050661', uniprot='', pdbid='3f0v', asym_id='X')
    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>