Structure of PDB 2xti Chain A Binding Site BS02

Receptor Information
>2xti Chain A (length=433) Species: 6279 (Brugia malayi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGVKIRDLVKHRNERVCIKGWIHRMRRQGKSLMFFILRDGTGFLQVLLMD
KLCQTYDALTVNTECTVEIYGAIKEVEAPNGHELIADFWKIIGNAPPGGI
DNVLNEEASVDKMLDNRHLVIRGENAAALLRLRAAATRAMREHFYNAGYV
EVAPPTLVQTQVEGGSTLFNLDYFGEQSFLTQSSQLYLETCIPTLGDVFC
IAQSYRAEKSRTRRHLAEYAHVEAECPFITLDDLMEKIEELVCDTVDRLL
ADEEAKKLLEHINPKFQPPERPFLRMEYKDAIKWLQEHNVENEFGNTFTY
GEDIAEAAERFMTDTINKPILLNRFPSEIKAFYMQRDAKDNTLTESVDLL
MPGVGEIVGGSMRIWKFDELSKAFKNVEIDPKPYYWYLDQRLYGTCPHGG
YGLGLERFICWLTNTNHIRDVCLYPRFVGRCVP
Ligand information
Ligand IDPOP
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
CACTVS 3.341O[P]([O-])(=O)O[P](O)([O-])=O
ACDLabs 10.04[O-]P(=O)(O)OP([O-])(=O)O
OpenEye OEToolkits 1.5.0OP(=O)([O-])OP(=O)(O)[O-]
FormulaH2 O7 P2
NamePYROPHOSPHATE 2-
ChEMBL
DrugBank
ZINC
PDB chain2xti Chain A Residue 1550 [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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PDB2xti A Hybrid Structural Model of the Complete Brugia Malayi Cytoplasmic Asparaginyl-tRNA Synthetase.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		R329 H330 E471 R522
Binding residue
(residue number reindexed from 1)		R214 H215 E356 R407
Annotation score5
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 15 23:36:29 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 = '2xti', asym_id = 'A', bs = 'BS02', title = 'A Hybrid Structural Model of the Complete Brugia Malayi Cytoplasmic Asparaginyl-tRNA Synthetase.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='2xti', asym_id='A', bs='BS02', title='A Hybrid Structural Model of the Complete Brugia Malayi Cytoplasmic Asparaginyl-tRNA Synthetase.')
   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 = '0000166,0003676,0004812,0004816,0005524,0006418,0006421', uniprot = '', pdbid = '2xti', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0000166,0003676,0004812,0004816,0005524,0006418,0006421', uniprot='', pdbid='2xti', 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>