Structure of PDB 4mq0 Chain A Binding Site BS01

Receptor Information

>4mq0 Chain A (length=438) Species: 889930 (Parkia biglobosa)

GMISVGPWGGSGGDHWSFKANHAITEILIHVKDNIKSISFKDAGGDISGT
FGGKDPRENKKGEEKKIGIRWPTEYLKSISGSYGDYNGILVIRSLSFITN
LTTYGPFGSTSGGESFSIPIADSVVVGFHGRAGYYLDALGIFVQPVPHRT
ISFGPWGGPAGDDAFNFKVGSWIKDIIVYADATINSIAFKDADGHCEKFG
GQDPNDIGVEEKVEIDGNLEHLTSISGTYGNYKGFEVLTSLSFITNVTKH
GPFGIASGTSFSRPIEGSLVTGFHGKGGYYLDSIGIYVKPRDGSISIGPW
GGSGGDPWSYTANEGINQIIIYAGSNIKSIAFKDTSGLDSATFGGVNPKD
TGEKNTVSIKWPSEYLTSIDGTYGQYKFKDVFTTVTSLSFTTNLATYGPF
GKASLTSFSIPIHNNMVVGFHGRAGDYLDAIGIFVKPD

Ligand information

• Ligand ID: MMA
• InChI: InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
• InChIKey: HOVAGTYPODGVJG-VEIUFWFVSA-N
• SMILES:
  CACTVS 3.341: CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(O)C(OC1OC)CO
  OpenEye OEToolkits 1.5.0: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
  CACTVS 3.341: CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: COC1C(C(C(C(O1)CO)O)O)O
• Formula: C7 H14 O6
• Name: methyl alpha-D-mannopyranoside;
  O1-METHYL-MANNOSE;
  methyl alpha-D-mannoside;
  methyl D-mannoside;
  methyl mannoside
• ChEMBL: CHEMBL195368
• DrugBank: DB01979
• ZINC: ZINC000004261920
• PDB chain: 4mq0 Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4mq0 Crystal structure of Parkia biglobosa seed lectin (PBL) in complex with methyl alpha D-mannopyranoside
• Resolution: 2.12 Å
• Binding residue (original residue number in PDB): G15 G16 G136 Y137 Y138 D140
• Binding residue (residue number reindexed from 1): G12 G13 G133 Y134 Y135 D137
• Annotation score: 4

Gene Ontology

--> -->

UnboundLocalError

Python 3.6.8: /usr/bin/python3 Fri Nov 15 18:32:25 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 = '4mq0', asym_id = 'A', bs = 'BS01', title = 'Crystal structure of Parkia biglobosa seed lecti...L) in complex with methyl alpha D-mannopyranoside'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4mq0', asym_id='A', bs='BS01', title='Crystal structure of Parkia biglobosa seed lecti...L) in complex with methyl alpha D-mannopyranoside')

   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 = '0030246', uniprot = '', pdbid = '4mq0', asym_id = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0030246', uniprot='', pdbid='4mq0', 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>