Structure of PDB 6xio Chain A Binding Site BS02

Receptor Information

>6xio Chain A (length=462) Species: 2250255 (Methanosarcinales archaeon)

MDISEWEKRYNEAYSDISKSLKKVKGIFVAYNSNIDAIKHIYPRQIDSPA
DFVARLIISMRDGKAAEVPTYTTDIHEWLTDNLGFDEARMGGQAGIISNL
LANMGIKNVIAYVPWLSKEQAEYFVDSENLLHPVVENGKLELKHPKEAYN
PDNKPKVNWIIEFSKGLEVKFAIVVPRDNRLIVSSRPPWIRIDMSEELYE
HLPEIGKNIDGAILSGYQMIKEEYEDGKTYKDYVEKAVNVIKRLKEGNPD
IRIHVEFTSIQNKLIRKAILKDIVRKHVHSLGLDTVEVANALNVLGYEEL
AYSVIKKDENAIVALYEGAVILLHELKLERVHVHSLGYYICVVSKDSPVS
PEDHRKSLLFASTVAAARALLGNINSLDDIEAGLDVPVSEQGYNQLEKLE
KYLVRRGICTLEDFENGCICTPNHDVIIIPTKVVEKPVATVGIGDTISAA
AFVSVLAKMKKK

Ligand information

• Ligand ID: F6P
• InChI: InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1
• InChIKey: BGWGXPAPYGQALX-ARQDHWQXSA-N
• SMILES:
  ACDLabs 10.04: O=P(O)(O)OCC1OC(O)(CO)C(O)C1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O
  CACTVS 3.341: OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@@]1(O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
• Formula: C6 H13 O9 P
• Name: 6-O-phosphono-beta-D-fructofuranose;
  FRUCTOSE-6-PHOSPHATE;
  6-O-phosphono-beta-D-fructose;
  6-O-phosphono-D-fructose;
  6-O-phosphono-fructose
• ChEMBL: CHEMBL604196
• ZINC: ZINC000004096690
• PDB chain: 6xio Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6xio Structure of an ancestral ADP-dependent kinase with fructose-6P reveals key residues for binding, catalysis, and ligand-induced conformational changes.
• Resolution: 3.12 Å
• Binding residue (original residue number in PDB): D36 E90 G114 G115 Q116 K179 S210 M245
• Binding residue (residue number reindexed from 1): D36 E67 G91 G92 Q93 K156 S184 M219
• Annotation score: 4

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Mon Feb 17 04:47:02 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 = '6xio', asym_id = 'A', bs = 'BS02', title = 'Structure of an ancestral ADP-dependent kinase w...ysis, and ligand-induced conformational changes. '

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6xio', asym_id='A', bs='BS02', title='Structure of an ancestral ADP-dependent kinase w...ysis, and ligand-induced conformational changes. ')

   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 = '0000287,0005737,0005975,0006000,0006096,0008443,0016773', uniprot = '', pdbid = '6xio', asym_id = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0000287,0005737,0005975,0006000,0006096,0008443,0016773', uniprot='', pdbid='6xio', 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>