Structure of PDB 3wh7 Chain A Binding Site BS01

Receptor Information

>3wh7 Chain A (length=443) Species: 408169 (metagenomes)

MAGERFPADFVWGAATAAYQIEGAVREDGRGVSIWDTFSHTPGKIADGTT
GDVACDSYHRYGEDIGLLNALGMNAYRFSIAWPRIVPLGAGPINQAGLDH
YSRMVDALLGAGLQPFVTLYHWDLPQPLEDRLGWGSRATATVFAEYADIV
VRQLGDRVTHWATLNEPWCSAMLGYYLGVHAPGHTDLKRGLEASHNLLLG
HGLAVQAMRAAAPQPLQIGIVLNLTPTYPASDSPEDVAAARRFDGFVNRW
FLDPLAGRGYPQDMLDYYGAAAPQANPEDLTQIAAPLDWLGVNYYERMRA
VDAPDASLPQAQRLDDPDLPHTADREVYPEGLYDILLRLHNDYPFRPLYI
TENGCALHDEIAEDGGIHDGQRQAFFEAHLAQLQRALAAGVPLKGYFAWS
LLDNFEWAMGLSMRYGICYTNFETLERRIKDSGYWLRDFIAGQ

Ligand information

• Ligand ID: FCB
• InChI: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m1/s1
• InChIKey: SHZGCJCMOBCMKK-FPRJBGLDSA-N
• SMILES:
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)C
  OpenEye OEToolkits 1.5.0: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
  CACTVS 3.341: C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
  OpenEye OEToolkits 1.5.0: CC1C(C(C(C(O1)O)O)O)O
  CACTVS 3.341: C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
• Formula: C6 H12 O5
• Name: beta-D-fucopyranose;
  beta-D-fucose;
  6-deoxy-beta-D-galactopyranose;
  D-fucose;
  fucose
• DrugBank: DB04062
• ZINC: ZINC000001532816
• PDB chain: 3wh7 Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3wh7 Crystal structure and identification of a key amino acid for glucose tolerance, substrate specificity, and transglycosylation activity of metagenomic beta-glucosidase Td2F2.
• Resolution: 1.1 Å
• Binding residue (original residue number in PDB): Q20 H121 N165 E166 Y295 E352 W399 E406 W407 Y415
• Binding residue (residue number reindexed from 1): Q20 H121 N165 E166 Y295 E352 W399 E406 W407 Y415
• Annotation score: 4

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Sun Feb 16 20:51:59 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 = '3wh7', asym_id = 'A', bs = 'BS01', title = 'Crystal structure and identification of a key am... activity of metagenomic beta-glucosidase Td2F2. '

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3wh7', asym_id='A', bs='BS01', title='Crystal structure and identification of a key am... activity of metagenomic beta-glucosidase Td2F2. ')

   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 = '0004553,0005975,0008422,0030245', uniprot = '', pdbid = '3wh7', asym_id = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004553,0005975,0008422,0030245', uniprot='', pdbid='3wh7', 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>