Structure of PDB 3nri Chain A Binding Site BS01

Receptor Information
>3nri Chain A (length=279) Species: 585147 (Staphylococcus aureus subsp. aureus A017934/97) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTMMDMNFKYCHKIMKKHSKSFSYAFDLLPEDQRKAVWAIYAVCRKIDDS
IIQFLNQIKEDIQSIEKYPYEYHHFQSDRRIMMALQHVAQHKNIAFQSFY
NLIDTVYKDQHFTMFETDAELFGYCYGVAGTVGEVLTPILSDHETHQTYD
VARRLGESLQLINILRDVGEDFENERIYFSKQRLKQYEVDIAEVYQNGVN
NHYIDLWEYYAAIAEKDFRDVMDQIKVFSIEAQPIIELAARIYIEILDEV
RQANYTLHERVFVEKRKKAKLFHEINSKY
Ligand information
Ligand IDDH7
InChIInChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,15-16,23-24H,11-14,19-22H2,1-8H3/b29-23+,30-24+
InChIKeyPALVLARMLPXARO-HCTXVGCHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(=CCC/C(=C/CCC(=C=CC=C=C(CC/C=C(/CCC=C(C)C)\C)C)C)/C)C
OpenEye OEToolkits 1.7.0CC(=CCCC(=CCCC(=C=CC=C=C(C)CCC=C(C)CCC=C(C)C)C)C)C
CACTVS 3.370CC(C)=CCCC(C)=CCC[C](C)=[C]=[CH][CH]=[C]=[C](C)CCC=C(C)CCC=C(C)C
CACTVS 3.370CC(C)=CCCC(/C)=C/CC[C](C)=[C@@]=[CH][CH]=[C@]=[C](C)CC\C=C(/C)CCC=C(C)C
ACDLabs 12.01C(=C(\C)CC\C=C(/C)CC\C=C(/C)C)=C\C=C=C(/C)CC/C=C(\C)CC\C=C(/C)C
FormulaC30 H46
Name(6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene;
dehydrosqualene
ChEMBL
DrugBank
ZINCZINC000058632202
PDB chain3nri Chain A Residue 288 [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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PDB3nri Mechanism of action and inhibition of dehydrosqualene synthase.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		H18 S19 K20 S21 F22 C44 D48 V137 N168 R171 Y248 R265 V266 F267
Binding residue
(residue number reindexed from 1)		H18 S19 K20 S21 F22 C44 D48 V132 N163 R166 Y243 R260 V261 F262
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 10:23:46 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 = '3nri', asym_id = 'A', bs = 'BS01', title = 'Mechanism of action and inhibition of dehydrosqualene synthase.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3nri', asym_id='A', bs='BS01', title='Mechanism of action and inhibition of dehydrosqualene synthase.')
   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 = '0004310,0004311,0009058,0016765', uniprot = '', pdbid = '3nri', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004310,0004311,0009058,0016765', uniprot='', pdbid='3nri', 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>