Structure of PDB 3dug Chain D Binding Site BS04

Receptor Information
>3dug Chain D (length=394) Species: 32644 (unidentified) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DFLIKSKGYLDIQTGEIIKADLLIRNGKIAEIGKINTKDATVISIPDLIL
IPGLMDSHVHIVGNDSKGEESIADSSHMGTVWGVVNAEKTLMAGFTTVRN
VGAANYADVSVRDAIERGVINGPTMLVSGPALGITGGHCDHNLLPPEFNY
SSEGVVDSPWEARKMVRKNRKYGADLIKFCATGGVMSRNTDVNAKQFTLE
EMKAIVDEAHNHGMKVAAHAHGLIGIKAAIKAGVDSVEHASFIDDETIDM
AIKNNTVLSMDIFVSDYILGEGAKAGIREESLNKERLVGKKQRENFMNAH
RRGAIITFGTDAGIFDHGDNAKQFAYMVEWGMTPLEAIQASTIKTATLFG
IENIGQIKEGFDADIVGVIENPLANIRTLEEVAFVMKEGKVYKR
Ligand information
Ligand IDARG
InChIInChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
InChIKeyODKSFYDXXFIFQN-BYPYZUCNSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[C@@H](CCCNC(N)=[NH2+])C(O)=O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[CH](CCCNC(N)=[NH2+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCN\C(=[NH2+])N
FormulaC6 H15 N4 O2
NameARGININE
ChEMBL
DrugBank
ZINC
PDB chain3dug Chain D Residue 429 [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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PDB3dug Functional identification of incorrectly annotated prolidases from the amidohydrolase superfamily of enzymes.
Resolution2.62 Å
Binding residue
(original residue number in PDB)		H142 G188 V189 M190 H223 H225 H243 D265 V268 E289 Q296 D315
Binding residue
(residue number reindexed from 1)		H138 G184 V185 M186 H219 H221 H239 D261 V264 E285 Q292 D311
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 15 23:58:32 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 = '3dug', asym_id = 'D', bs = 'BS04', title = 'Functional identification of incorrectly annotat...s from the amidohydrolase superfamily of enzymes.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3dug', asym_id='D', bs='BS04', title='Functional identification of incorrectly annotat...s from the amidohydrolase superfamily of enzymes.')
   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 = '0016787,0016810', uniprot = '', pdbid = '3dug', asym_id = 'D'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016787,0016810', uniprot='', pdbid='3dug', asym_id='D')
    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>