Structure of PDB 4jd0 Chain A Binding Site BS01

Receptor Information
>4jd0 Chain A (length=245) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FQGAMREAIVLASGAGKRLRSVTGDVPKVFYRFDGCELVKYPMISLMKNG
VERFVLVVSEGYRDLGEKVLNDLGVEGIVVENKKVELGNAYSFFLSEPYV
ESEKFFLSCGDSLFPPSALKSAFSEDEFHIKLGVSKRSDLIDPEKASKVL
VNENRIVKIGKRIDQYNYFDTGVFVMTKKVYSLKESFSWTEDISLYHVLQ
KAVDTGMIVKVFDFGNALWTEIDSPADLNSKVYELMSKIKEGVAC
Ligand information
Ligand ID1KH
InChIInChI=1S/C5H13AsO8/c7-2(1-6(12,13)14)3(8)4(9)5(10)11/h2-5,7-11H,1H2,(H2,12,13,14)/t2-,3+,4-/m1/s1
InChIKeyMSQKZAOQSOMILW-FLRLBIABSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC(O)[CH](O)[CH](O)[CH](O)C[As](O)(O)=O
OpenEye OEToolkits 1.7.6C(C(C(C(C(O)O)O)O)O)[As](=O)(O)O
CACTVS 3.370OC(O)[C@H](O)[C@@H](O)[C@H](O)C[As](O)(O)=O
OpenEye OEToolkits 1.7.6C([C@H]([C@@H]([C@H](C(O)O)O)O)O)[As](=O)(O)O
FormulaC5 H13 As O8
Namearsenoribose
ChEMBL
DrugBank
ZINC
PDB chain4jd0 Chain A Residue 301 [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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PDB4jd0 Structure of the inositol-1-phosphate cytidylyltransferase from Thermotoga maritima.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		N85 K141 S143 K157 D166 S190 L191 Y192
Binding residue
(residue number reindexed from 1)		N89 K145 S147 K161 D170 S194 L195 Y196
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 15 17:41:51 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 = '4jd0', asym_id = 'A', bs = 'BS01', title = 'Structure of the inositol-1-phosphate cytidylyltransferase from Thermotoga maritima.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4jd0', asym_id='A', bs='BS01', title='Structure of the inositol-1-phosphate cytidylyltransferase from Thermotoga maritima.')
   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 = '0009058', uniprot = '', pdbid = '4jd0', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0009058', uniprot='', pdbid='4jd0', 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>