Structure of PDB 3rir Chain A Binding Site BS01

Receptor Information
>3rir Chain A (length=322) Species: 889933 (Staphylococcus aureus subsp. aureus ECT-R 2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKYSQDVLQLLYKNKPNYISGQSIAESLNISRTAVKKVIDQLKLEGCKID
SVNHKGHLLQQLPDIWYQGIIDQYTKSSALFDFSEVYDSIDSTQLAAKKS
LVGNQSSFFILSDEQTKGRGRFNRHWSSSKGQGLWMSVVLRPNVAFSMIS
KFNLFIALGIRDAIQHFSQDEVKVKWPNDIYIDNGKVCGFLTEMVANNDG
IEAIICGIGINLTQQLENFDESIRHRATSIQLHDKNKLDRYQFLERLLQE
IEKRYNQFLTLPFSEIREEYNAASNIWNRTLLFTENDKQFKGQAIDLDYD
GYLIVRDEAGESHRLISADIDF
Ligand information
Ligand IDBT5
InChIInChI=1S/C20H28N7O9PS/c21-17-14-18(23-7-22-17)27(8-24-14)19-16(30)15(29)10(35-19)5-34-37(32,33)36-12(28)4-2-1-3-11-13-9(6-38-11)25-20(31)26-13/h7-11,13,15-16,19,29-30H,1-6H2,(H,32,33)(H2,21,22,23)(H2,25,26,31)/t9-,10+,11-,13-,15+,16+,19+/m0/s1
InChIKeyUTQCSTJVMLODHM-RHCAYAJFSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1NC2C(SCC2N1)CCCCC(=O)OP(=O)(O)OCC5OC(n3c4ncnc(N)c4nc3)C(O)C5O
OpenEye OEToolkits 1.7.5c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N
CACTVS 3.385Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)[CH](O)[CH]3O
CACTVS 3.385Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)OC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.5c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)CCCCC4C5C(CS4)NC(=O)N5)O)O)N
FormulaC20 H28 N7 O9 P S
NameBIOTINYL-5-AMP
ChEMBL
DrugBank
ZINCZINC000008551918
PDB chain3rir Chain A Residue 500 [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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PDB3rir Crystal Strucrture of Biotin Protein Ligase from S. aureus
Resolution2.6 Å
Binding residue
(original residue number in PDB)		S93 T94 Q116 R120 G121 R122 R125 H126 W127 S128 W136 M137 K187 G190 I209 G210 N212
Binding residue
(residue number reindexed from 1)		S92 T93 Q115 R119 G120 R121 R124 H125 W126 S127 W135 M136 K186 G189 I208 G209 N211
Annotation score2
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 17:39:57 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 = '3rir', asym_id = 'A', bs = 'BS01', title = 'Crystal Strucrture of Biotin Protein Ligase from S. aureus'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3rir', asym_id='A', bs='BS01', title='Crystal Strucrture of Biotin Protein Ligase from S. aureus')
   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 = '0004077,0006355,0036211', uniprot = '', pdbid = '3rir', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004077,0006355,0036211', uniprot='', pdbid='3rir', 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>