Structure of PDB 8ffu Chain C Binding Site BS02

Receptor Information
>8ffu Chain C (length=358) Species: 1166 (Dolichospermum flos-aquae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LLEMWLSEYERVPYNLGESSVDNFTLGELLNLTGDRDALDQLSLMNNDTH
GSLRLREAIASLDKSVSPDDILVTAGTTEAILIYFKVRYRSGANVVVPVP
TFHVLYETPAFLGYEVRYLQLRAENGFRIDPQELAKLVDDNTEVIVLNTP
QNPSGVVCSETEIQSIIEIAEKHNAEILADEHYRFLPHTEILPSLYGLSP
KIISLGSTGKCFGCIGLRIGWLIGNPEIIKACHFFKDYTTHTVCVLNDYI
AAGVLLHKGKILPRYRQMIQHNIQQFETFIKQQRGLIDWVKPEAGTIAFP
FFTDPNINSKIVAKRLVEDHGVLLLPGEAFDRPSHFRIALGVEPSLFQYA
LEKLAIVI
Ligand information
Ligand IDXUR
InChIInChI=1S/C14H22N5O8P/c1-7-12(21)10(8(3-17-7)6-27-28(24,25)26)5-18-11(13(22)23)2-9(20)4-19-14(15)16/h3,5,9,11,20-21H,2,4,6H2,1H3,(H,22,23)(H4,15,16,19)(H2,24,25,26)/b18-5+/t9-,11-/m0/s1
InChIKeyRHWJRTHWGVRULK-IUDJVARUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CC(CNC(=N)N)O)C(=O)O)O
OpenEye OEToolkits 2.0.7[H]/N=C(\N)/NC[C@H](C[C@@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(C=N[C@@H](C[C@H](O)CNC(N)=N)C(O)=O)c1O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](C[CH](O)CNC(N)=N)C(O)=O)c1O
ACDLabs 12.01Oc1c(/C=N/C(CC(O)CNC(=N)N)C(=O)O)c(cnc1C)COP(=O)(O)O
FormulaC14 H22 N5 O8 P
Name(2S,4S)-5-carbamimidamido-4-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pentanoic acid (non-preferred name)
ChEMBL
DrugBank
ZINC
PDB chain8ffu Chain C Residue 402 [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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PDB8ffu Mechanistic and Structural Insights into a Divergent PLP-Dependent l-Enduracididine Cyclase from a Toxic Cyanobacterium.
Resolution2.04 Å
Binding residue
(original residue number in PDB)		S25 T83 T84 F108 N158 D186 H188 K219 R227 R346
Binding residue
(residue number reindexed from 1)		S19 T77 T78 F102 N152 D180 H182 K210 R218 R337
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 22 10:26:16 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 = '8ffu', asym_id = 'C', bs = 'BS02', title = 'Mechanistic and Structural Insights into a Diver...duracididine Cyclase from a Toxic Cyanobacterium.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8ffu', asym_id='C', bs='BS02', title='Mechanistic and Structural Insights into a Diver...duracididine Cyclase from a Toxic Cyanobacterium.')
   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 = '0009058,0030170', uniprot = '', pdbid = '8ffu', asym_id = 'C'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0009058,0030170', uniprot='', pdbid='8ffu', asym_id='C')
    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>