Structure of PDB 6ssg Chain B Binding Site BS01

Receptor Information
>6ssg Chain B (length=424) Species: 212423 (Streptomyces kaniharaensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMITEKSAALYARAVEVMPGGNSRTAVYSSPYPVYVRSGSGARVTDVDGV
ERIDFLNNSTTLIHGHAHPEMVEAIAAAVGHGTSFGMPTPVEVEYAEALS
ARNETFEHVRFTSSGTEAVMMAVQAARAYTERPKIAKIAGAYHGAYDAVA
VNNDGSGNLISHAVTGNPEGVVANTVVIPFNDPEGSLEVLRRHADDLACV
LIDPVPWRIGLLPASKEWLDALREFCDASGAVLISDEVGSYRVGYHGAMQ
LLGAEADITVMGKVIAAGMPIGAVAGRRRFMSVFDPSKGKPALPHSGSYN
ANPVSMSSGIASLRLLTPQAHERIGQLGEQARGSMRTALGEAGLDWEVNG
LGSLFRVVANSAPAGYDSAAAAMKALYWKLLENGIHIGDSGLGCISTPMG
EEEIAEYAVAFAKSLGQVLAEGRA
Ligand information
Ligand IDLUK
InChIInChI=1S/C14H20N5O9P/c1-7-12(20)9(8(2-16-7)4-28-29(23,24)25)3-17-27-6-11-14(22)18-10(5-26-15)13(21)19-11/h2-3,10-11,20H,4-6,15H2,1H3,(H,18,22)(H,19,21)(H2,23,24,25)/b17-3-/t10-,11-/m1/s1
InChIKeyHNXGFDLEQUEUAT-IZYPQUFVSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(C=NOC[CH]2NC(=O)[CH](CON)NC2=O)c1O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(\C=N/OC[C@H]2NC(=O)[C@@H](CON)NC2=O)c1O
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)COP(=O)(O)O)C=NOCC2C(=O)NC(C(=O)N2)CON)O
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\OC[C@@H]2C(=O)N[C@@H](C(=O)N2)CON)O
FormulaC14 H20 N5 O9 P
Name[4-[(~{Z})-[(2~{R},5~{R})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
ChEMBL
DrugBank
ZINC
PDB chain6ssg Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6ssg PMP-diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis.
Resolution1.47 Å
Binding residue
(original residue number in PDB)		S295 G296 S297
Binding residue
(residue number reindexed from 1)		S296 G297 S298
Annotation score1
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun Mar 9 23:46:01 2025

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 = '6ssg', asym_id = 'B', bs = 'BS01', title = 'PMP-diketopiperazine adducts form at the active ...pendent enzyme involved in formycin biosynthesis.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6ssg', asym_id='B', bs='BS01', title='PMP-diketopiperazine adducts form at the active ...pendent enzyme involved in formycin biosynthesis.')
   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 = '0008483,0030170', uniprot = '', pdbid = '6ssg', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0008483,0030170', uniprot='', pdbid='6ssg', asym_id='B')
    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>