Structure of PDB 6k5j Chain A Binding Site BS01

Receptor Information

>6k5j Chain A (length=526) Species: 186822 (Paenibacillaceae)

ALTLKQKVGQLVMAGFNGLEASDDARKLITEDHVGGIIYFRRNLAEPAQV
AKLSAELQQIAAESDNVPLLISIDQEGGMVTRLENGVTVVPGNMALGAAG
DAELAYEAAHIIGSELRALGINMNFAPSLDINNNPGNPVIGVRSYGGTAE
LVARLGTEAVRGFQDAGVAATVKHFPGHGDTGEDSHHALPTVPHARERLD
RLELAPFREAIARGVDAVMTAHVLFPAVEPEKLPATLSSNVIEGLLRGEL
GYDGVVVTDDLEMNAISKFYGVGEGAVQAVEAGADLILVSHRYERQKAAL
DALLAAVESGRISEERIDRSVGRLLALKQRRAVDAGAAVTLSSGDTLVTD
EKTELVERISEKSITLLRSEGEFTLDKTKPVLVVWPEVRVGSEVDEVLPR
KETLGYWLKSAGYDVNEQTIGVQPTEEEVAHIQELSGQISQVVVVSYNAI
FSPDQAALIEALAAKPDVQLIVASARNPFDINALPTVKTFFAAYENTPSA
MRALALVLTGQIAVQGTLPAPLTVTV

Ligand information

• Ligand ID: NAG
• InChI: InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
• InChIKey: OVRNDRQMDRJTHS-FMDGEEDCSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
  CACTVS 3.370: CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
  CACTVS 3.370: CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
  ACDLabs 12.01: O=C(NC1C(O)C(O)C(OC1O)CO)C
  OpenEye OEToolkits 1.7.6: CC(=O)NC1C(C(C(OC1O)CO)O)O
• Formula: C8 H15 N O6
• Name: 2-acetamido-2-deoxy-beta-D-glucopyranose;
  N-acetyl-beta-D-glucosamine;
  2-acetamido-2-deoxy-beta-D-glucose;
  2-acetamido-2-deoxy-D-glucose;
  2-acetamido-2-deoxy-glucose;
  N-ACETYL-D-GLUCOSAMINE
• ChEMBL: CHEMBL447878
• ZINC: ZINC000003983907
• PDB chain: 6k5j Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6k5j Structural and functional characterization of a glycoside hydrolase family 3 beta-N-acetylglucosaminidase from Paenibacillus sp. str. FPU-7.
• Resolution: 1.903 Å
• Binding residue (original residue number in PDB): F49 D83 V148 R152 K182 H183 H195 M228 D268 M272
• Binding residue (residue number reindexed from 1): F40 D74 V139 R143 K173 H174 H186 M219 D259 M263
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Sat Nov 16 08:17:34 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 = '6k5j', asym_id = 'A', bs = 'BS01', title = 'Structural and functional characterization of a ...ucosaminidase from Paenibacillus sp. str. FPU-7. '

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6k5j', asym_id='A', bs='BS01', title='Structural and functional characterization of a ...ucosaminidase from Paenibacillus sp. str. FPU-7. ')

   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 = '0004553,0005975', uniprot = '', pdbid = '6k5j', asym_id = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004553,0005975', uniprot='', pdbid='6k5j', 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>