Structure of PDB 4yu5 Chain A Binding Site BS06

Receptor Information
>4yu5 Chain A (length=695) Species: 637380 (Bacillus cereus biovar anthracis str. CI) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLIQEDRLAEALKERGTINPASSKEETKKAVEKYIEKKQGDQANKNGQVP
TSKAKQAPYKGSVRTDKVLVLLVEFSDYKHNNIDQTPGYMYSNDFSREHY
QKMLFGNEPYTLFDGSKVKTFKQYYEEQSGGSYTTDGYVTEWLTVPGKAS
DYGADGSSGHDNKGPKGARDLVKEALHAAAEKGLDLSQFDQFDRNEPDGV
IDHLMVIHAGVGQEAGGGKLGDDAIWSHRSKLAIDPVAIEGTKSKVDYFG
GKVAAHDYTIEPEDGAVGVFAHAFGHDLGLPDEYDTKYTGTGSPVEAWSL
MSGGSWTGKIAGTEPTSFSPQNKDFLQKNMGGNWAKILEVDYDKIKRGVG
VPTYIDQSVTKSNRPGVVRVNLPGKSVETIKPEFGKHAYYSTRGDDMHTT
LETPFFDLTKGTNAKFDYKANYELEAECDFVEVHAVTEDGTKTLIDRLGE
KVVQGDKDTTDGKWIDKSYDLSQFKGKKVKLQFDYITDPAVTYKGFAMDH
VNVTVDGQVVFSDDAEGQSKMNLNGFVVSDGTEKKAHYYYLEWRNYAGSD
NGLKAGKGPVYNTGLVVWYADDSFKDNWVGVHPGEGFLGVVDSHPEAFVG
NLNGKPTYGNTGMQIADAAFSFDQTPAWSVNSLTRGQFNYSGLQGVTTFD
DSKVYSNNQIADAGRKVPKLGLKFQVVGQADDKSAGAVWIKRHHH
Ligand information
Ligand IDKH2
InChIInChI=1S/C9H19NO3S/c1-10(6-3-2-4-7-10)8-5-9-14(11,12)13/h2-9H2,1H3
InChIKeyDQNQWAVIDNVATL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01[O-]S(=O)(=O)CCC[N+]1(CCCCC1)C
OpenEye OEToolkits 1.7.6C[N+]1(CCCCC1)CCCS(=O)(=O)[O-]
CACTVS 3.370C[N+]1(CCCCC1)CCC[S]([O-])(=O)=O
FormulaC9 H19 N O3 S
Name3-(1-methylpiperidinium-1-yl)propane-1-sulfonate
ChEMBL
DrugBank
ZINC
PDB chain4yu5 Chain A Residue 1006 [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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PDB4yu5 Structural Basis for Latency and Function of Immune Inhibitor A Metallopeptidase, a Modulator of the Bacillus anthracis Secretome.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		V147 P459 T460 Y461 V784 W796
Binding residue
(residue number reindexed from 1)		V49 P352 T353 Y354 V677 W689
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 11:55:44 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 = '4yu5', asym_id = 'A', bs = 'BS06', title = 'Structural Basis for Latency and Function of Imm... a Modulator of the Bacillus anthracis Secretome.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4yu5', asym_id='A', bs='BS06', title='Structural Basis for Latency and Function of Imm... a Modulator of the Bacillus anthracis Secretome.')
   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 = '0006508,0008233', uniprot = '', pdbid = '4yu5', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0006508,0008233', uniprot='', pdbid='4yu5', 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>