Structure of PDB 4ucf Chain A Binding Site BS01

Receptor Information

>4ucf Chain A (length=682) Species: 883062 (Bifidobacterium bifidum S17)

RRKHSWPQPLKGAESRLWYGGDYNPDQWPEEVWDDDIRLMKKAGVNLVSV
GIFSWAKIEPEEGKYDFDWLDRAIDKLGKAGIAVDLASATASPPMWLTQA
HPEVLWKDERGDTVWPGAREHWRPTSPVFREYALNLCRRMAEHYKGNPYV
VAWHVSNEYGCHNRFDYSDDAMRAFQKWCKKRYKTIDAVNEAWGTAFWAQ
HMNDFSEIIPPRYIGDGNFMNPGKLLDYKRFSSDALKELYIAERDVLESI
TPGLPLTTNFMVSAGGSMLDYDDWGAEVDFVSNDHYFTPGEAHFDEVAYA
ASLMDGISRKEPWFQMEHSTSAVNWRPINYRAEPGSVVRDSLAQVAMGAD
AICYFQWRQSKAGAEKWHSSMVPHAGEDSQIFRDVCELGADLGRLSDEGL
MGTKTVKSKVAVVFDYESQWATEYTANPTQQVDHWTEPLDWFRALADNGI
TADVVPVRSDWDSYEIAVLPCVYLLSEETSRRVREFVANGGKLFVTYYTG
LSDENDHIWLGGYPGSIRDVVGVRVEEFAPMGNDMPGALDHLDLDNGTVA
HDFADVITSTADTSTVLASYKAERWTGMNEVPAIVANGYGDGRTVYVGCR
LGRQGLAKSLPAMLGSMGLGDGRVLRVERADAAAASHFEFVFNRTHEPVT
VDVEGEAIAASLAHVDDGRATIDPTGVVVLRR

Ligand information

• Ligand ID: GLA
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1
• InChIKey: WQZGKKKJIJFFOK-PHYPRBDBSA-N
• SMILES:
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-galactopyranose;
  alpha-D-galactose;
  D-galactose;
  galactose;
  ALPHA D-GALACTOSE
• ChEMBL: CHEMBL1233058
• ZINC: ZINC000000901155
• PDB chain: 4ucf Chain A Residue 701

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ucf Crystal Structure of Beta1-6-Galactosidase from Bifidobacterium Bifidum S17: Trimeric Architecture, Molecular Determinants of the Enzymatic Activity and its Inhibition by Alpha-Galactose.
• Resolution: 1.94 Å
• Binding residue (original residue number in PDB): R122 N160 E161 D287 Y289 E320 W328 F358 E368 H371
• Binding residue (residue number reindexed from 1): R119 N157 E158 D284 Y286 E317 W325 F355 E365 H368
• Annotation score: 4
• Binding affinity: MOAD: Ki=5.9mM

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Wed Nov 27 21:51:47 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 = '4ucf', asym_id = 'A', bs = 'BS01', title = 'Crystal Structure of Beta1-6-Galactosidase from ... Activity and its Inhibition by Alpha-Galactose. '

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4ucf', asym_id='A', bs='BS01', title='Crystal Structure of Beta1-6-Galactosidase from ... Activity and its Inhibition by Alpha-Galactose. ')

   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 = '0004565,0005975,0006012,0009341', uniprot = '', pdbid = '4ucf', asym_id = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004565,0005975,0006012,0009341', uniprot='', pdbid='4ucf', 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>