Structure of PDB 4ha8 Chain A Binding Site BS01

Receptor Information
>4ha8 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 IDBC4
InChIInChI=1S/C11H16N2OS/c1-2-3-4-5-6-9-10-8(7-15-9)12-11(14)13-10/h1,8-10H,3-7H2,(H2,12,13,14)/t8-,9-,10-/m0/s1
InChIKeyMGFIEEWTLUFGHD-GUBZILKMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C#CCCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2
CACTVS 3.385O=C1N[C@H]2CS[C@@H](CCCCC#C)[C@H]2N1
CACTVS 3.385O=C1N[CH]2CS[CH](CCCCC#C)[CH]2N1
ACDLabs 12.01O=C1NC2C(SCC2N1)CCCCC#C
OpenEye OEToolkits 1.7.6C#CCCCCC1C2C(CS1)NC(=O)N2
FormulaC11 H16 N2 O S
Name(3aS,4S,6aR)-4-(hex-5-yn-1-yl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one;
biotin acetylene
ChEMBLCHEMBL2063403
DrugBank
ZINCZINC000084707038
PDB chain4ha8 Chain A Residue 401 [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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PDB4ha8 Structure of Staphylococcus aureus biotin protein ligase in complex with biotin acetylene
Resolution2.65 Å
Binding residue
(original residue number in PDB)		S93 T94 Q116 G119 R120 G121 W127 M137 G190 G208 I209 G210
Binding residue
(residue number reindexed from 1)		S92 T93 Q115 G118 R119 G120 W126 M136 G189 G207 I208 G209
Annotation score2
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 17:48:38 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 = '4ha8', asym_id = 'A', bs = 'BS01', title = 'Structure of Staphylococcus aureus biotin protein ligase in complex with biotin acetylene'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4ha8', asym_id='A', bs='BS01', title='Structure of Staphylococcus aureus biotin protein ligase in complex with biotin acetylene')
   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 = '4ha8', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004077,0006355,0036211', uniprot='', pdbid='4ha8', 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>