Structure of PDB 3n2a Chain A Binding Site BS01

Receptor Information
>3n2a Chain A (length=406) Species: 214092 (Yersinia pestis CO92) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPQATSPLAAWLCYLEHLHSQPIELGLERVKQVAERLDLLKPAPKIFTVA
GTNGKGTTCCTLEAILLAAGLRVGVYSSPHLLRYTERVRIQGQELSEAEH
SHSFAQIEAGRGDISLTYFEFGTLSALQLFKQAKLDVVILEVGLGGRLDA
TNIVDSDVAAITSIALDHTDWLGYDRESIGREKAGVFRGGKPAVVGEPDM
PQSIADVAAELGAQLYRRDVAWKFSQNGWHWQCGERQLTGLPVPNVPLAN
AATALAVLHYSELPLSDEAIRQGLQAASLPGRFQVVSEQPLLILDVAHNP
HAARYLVNRLAQVGKVRAVVGMLSDKDIAGTLACLSERVDEWYCAPLEGP
RGASAGQLAEHLVSARQFSDVETAWRQAMQDADTQDVVIVCGSFHTVAHV
MAALHL
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain3n2a Chain A Residue 1001 [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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PDB3n2a Crystal structure of bifunctional folylpolyglutamate synthase/dihydrofolate synthase from Yersinia pestis CO92
Resolution1.9 Å
Binding residue
(original residue number in PDB)		N58 G59 K60 G61 T62 N269 R301 D314 V315 A316 H320 A321 Y324
Binding residue
(residue number reindexed from 1)		N53 G54 K55 G56 T57 N250 R282 D295 V296 A297 H301 A302 Y305
Annotation score5
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun Nov 24 03:29:07 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 = '3n2a', asym_id = 'A', bs = 'BS01', title = 'Crystal structure of bifunctional folylpolygluta.../dihydrofolate synthase from Yersinia pestis CO92'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3n2a', asym_id='A', bs='BS01', title='Crystal structure of bifunctional folylpolygluta.../dihydrofolate synthase from Yersinia pestis CO92')
   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 = '0004326,0005524,0009058,0009396,0016881', uniprot = '', pdbid = '3n2a', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004326,0005524,0009058,0009396,0016881', uniprot='', pdbid='3n2a', 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>