Structure of PDB 3pws Chain A Binding Site BS01

Receptor Information
>3pws Chain A (length=357) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GYTVAVVGATGAVGAQMIKMLEESTLPIDKIRYLASARSAGKSLKFKDQD
ITIEETTETAFEGVDIALFSAGSSTSAKYAPYAVKAGVVVVDNTSYFRQN
PDVPLVVPEVNAHALDAHNGIIACPNCSTIQMMVALEPVRQKWGLDRIIV
STYQAVSGAGMGAILETQRELREVLNDGVKPCDLHAEILPSGGDKKHYPI
AFNALPQIDVFTDNDYTYEEMKMTKETKKIMEDDSIAVSATCVRIPVLSA
HSESVYIETKEVAPIEEVKAAIAAFPGAVLEDDVAHQIYPQAINAVGSRD
TFVGRIRKDLDAEKGIHMWVVSDNLLKGAAWNSVQIAETLHERGLVRPTA
ELKFELK
Ligand information
Ligand ID11C
InChIInChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m1/s1
InChIKeyOYIFNHCXNCRBQI-SCSAIBSYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C[C@H](C(=O)O)N)CC(=O)O
ACDLabs 12.01O=C(O)C(N)CCCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(C(=O)O)N)CC(=O)O
CACTVS 3.370N[C@H](CCCC(O)=O)C(O)=O
CACTVS 3.370N[CH](CCCC(O)=O)C(O)=O
FormulaC6 H11 N O4
Name(2R)-2-aminohexanedioic acid;
D-2-aminoadipate
ChEMBLCHEMBL1169505
DrugBank
ZINCZINC000001678992
PDB chain3pws Chain A Residue 367 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3pws Structural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme Family.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R99 N127 G159 I209 E220 K223 R245
Binding residue
(residue number reindexed from 1)		R98 N126 G158 I208 E219 K222 R244
Annotation score2
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Nov 28 05:53:46 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 = '3pws', asym_id = 'A', bs = 'BS01', title = 'Structural Characterization of Inhibitors with S...ty against Members of a Homologous Enzyme Family.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3pws', asym_id='A', bs='BS01', title='Structural Characterization of Inhibitors with S...ty against Members of a Homologous Enzyme Family.')
   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 = '0004073,0008652,0009086,0009088,0009089,0009097,0016620,0046983,0050661,0051287', uniprot = '', pdbid = '3pws', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004073,0008652,0009086,0009088,0009089,0009097,0016620,0046983,0050661,0051287', uniprot='', pdbid='3pws', 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>