Structure of PDB 6gz9 Chain A Binding Site BS01

Receptor Information
>6gz9 Chain A (length=488) Species: 1290 (Staphylococcus hominis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTIQSIPQKGFFGHPRGLGVLFFVEFWERFSYYGMRAMLIFYMYFAIHQN
GLGIDKTTAMSIMSVYGALIYMSSIPGAWIADRITGTRGATLLGAVLIII
GHICLSLPFALFGLFSSMFFIIIGSGLMKPNISNIVGRLYPENDTRIDAG
FVIFYMSVNLGALISPIILQHFVDIRNFHGGFLLAAIGMALGLVWYLLFN
RKNLGSVGMKPTNPLSKEEKRKYGMIIGIIVAIVIVVLLVTYYTHTLSFD
LISNTVLVLGVALPIIYFTTMLRSKDVTDGERSRVKAFIPLFILGMLFWS
IQEQGSNVLNIYGLERSDMQLNLFGWTTRFGEALFQSINPLFILLFAPVI
SMIWLKMGKKQPSLAIKFSIGTLLAGLSYILIGLVGLGYGHTQFSVNWVI
LSYVICVIGELCLSPTGNSAAVKLAPKAFNAQMMSVWLLTNASAQAINGT
LVKLIKPLGQTNYFIFLGTVAIVITLIILVFSPKITKA
Ligand information
Ligand IDTXC
InChIInChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1
InChIKeyHDOVUKNUBWVHOX-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC(C)C(C(=O)OCCOCn1cnc2c1N=C(NC2=O)N)N
CACTVS 3.385CC(C)[C@H](N)C(=O)OCCOCn1cnc2C(=O)NC(=Nc12)N
CACTVS 3.385CC(C)[CH](N)C(=O)OCCOCn1cnc2C(=O)NC(=Nc12)N
ACDLabs 12.01O=C2NC(=Nc1c2ncn1COCCOC(=O)C(N)C(C)C)N
OpenEye OEToolkits 1.9.2CC(C)[C@@H](C(=O)OCCOCn1cnc2c1N=C(NC2=O)N)N
FormulaC13 H20 N6 O4
Name2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate;
Valacyclovir
ChEMBLCHEMBL1349
DrugBankDB00577
ZINCZINC000001530713
PDB chain6gz9 Chain A Residue 501 [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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PDB6gz9 Structural basis for prodrug recognition by the SLC15 family of proton-coupled peptide transporters.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		Y41 V166 N347 P348 N426
Binding residue
(residue number reindexed from 1)		Y33 V158 N339 P340 N418
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=2.13,IC50=7.4mM
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 06:29:03 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 = '6gz9', asym_id = 'A', bs = 'BS01', title = 'Structural basis for prodrug recognition by the SLC15 family of proton-coupled peptide transporters.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6gz9', asym_id='A', bs='BS01', title='Structural basis for prodrug recognition by the SLC15 family of proton-coupled peptide transporters.')
   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 = '0006857,0015833,0016020,0022857,0055085,1904680', uniprot = '', pdbid = '6gz9', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0006857,0015833,0016020,0022857,0055085,1904680', uniprot='', pdbid='6gz9', 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>