Structure of PDB 5f9y Chain A Binding Site BS01

Receptor Information
>5f9y Chain A (length=488) Species: 5807 (Cryptosporidium parvum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AHHHHHHSKENESLLGITADKITSFADWYSQVIVKSEMIEYYDISGCYIL
RPWSYFIWETIQSVFDQKIKQHDVQNAYFPIFVTQKKLETSPEVAWVTKS
SDLAEPIAIRPTSETIMYPYFAKWIRSHRDLPLKINQWTSIVRWEFKHPT
PFIRTREFLWQEGHTAHSTRKEALEMVDIILNEYASIYEDLLATPVVKGT
KSENEKFPGGDITKSIEGFIPEIGRAVQAATSHLLGQNFSKMFGVEFEDE
KGNKEYAHQTSWGLTTRAIGVMIMTHGDNKGLVLPPKVAPVQVIIIPIIF
KTVITEEQKKICNEVECILKKAGVRVKIDDRSNYTPGWKYNHWEVKGVCL
RFEVGPRDIEKRSVRVVVRDNMEKMDIPISELESKIPKLLEEFQNRLLFK
AKQRQNESIIRVDTFDKVMDTLNQKKMVIAPWCEDVSCEEEIKKETARLA
MKSLCIPNDQIFKIEEGKTKCFFCDKLAKKFTLFGRSY
Ligand information
Ligand IDPRO
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyONIBWKKTOPOVIA-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C[C@H](NC1)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CCCN1
CACTVS 3.341OC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.5.0C1CC(NC1)C(=O)O
ACDLabs 10.04O=C(O)C1NCCC1
FormulaC5 H9 N O2
NamePROLINE
ChEMBLCHEMBL54922
DrugBankDB00172
ZINCZINC000000895360
PDB chain5f9y Chain A Residue 700 [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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PDB5f9y Crystal Structure of Prolyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-Proline and AMP
Resolution2.8 Å
Binding residue
(original residue number in PDB)		T300 E302 W348 F395 H421 W450 G451
Binding residue
(residue number reindexed from 1)		T112 E114 W160 F207 H233 W262 G263
Annotation score5
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun Nov 24 23:14:09 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 = '5f9y', asym_id = 'A', bs = 'BS01', title = 'Crystal Structure of Prolyl-tRNA Synthetase from...sporidium parvum complexed with L-Proline and AMP'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='5f9y', asym_id='A', bs='BS01', title='Crystal Structure of Prolyl-tRNA Synthetase from...sporidium parvum complexed with L-Proline and AMP')
   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 = '0000166,0004812,0004827,0005524,0005737,0006418,0006433', uniprot = '', pdbid = '5f9y', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0000166,0004812,0004827,0005524,0005737,0006418,0006433', uniprot='', pdbid='5f9y', 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>