Structure of PDB 2pa4 Chain D Binding Site BS01

Receptor Information

>2pa4 Chain D (length=295) Species: 196627 (Corynebacterium glutamicum ATCC 13032)

AVKTVVVPAAGLGTRFLPATKTVPKELLPVVDTPGIELIAAEAAELGATR
LAIITAPNKAGVLAHFERSSELEETLMERDQVEIIRRAADLIKAVPVTQD
KPLGLGHAVGLAESVLDDDEDVVAVMLPDDLVLPTGVMERMAQVRAEFGG
SVLCAVEVSEADVSKYGIFEIEADTKDSDVKKVKGMVEKPAIEDAPSRLA
ATGRYLLDRKIFDALRRITPGAGGELQLTDAIDLLIDEGHPVHIVIHQGK
RHDLGNPGGYIPACVDFGLSHPVYGAQLKDAIKQILAEHEAAERI

Ligand information

• Ligand ID: UPG
• InChI: InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
• InChIKey: HSCJRCZFDFQWRP-JZMIEXBBSA-N
• SMILES:
  CACTVS 3.370: OC[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@H](O)[C@@H](O)[C@@H]1O
  ACDLabs 12.01: O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)CO)O)O
  CACTVS 3.370: OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.7.6: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
  OpenEye OEToolkits 1.7.6: C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O
• Formula: C15 H24 N2 O17 P2
• Name: URIDINE-5'-DIPHOSPHATE-GLUCOSE;
  URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER
• ChEMBL: CHEMBL375951
• DrugBank: DB01861
• ZINC: ZINC000008215472
• PDB chain: 2pa4 Chain D Residue 326

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2pa4 Active site geometry of glucose-1-phosphate uridylyltransferase.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): P18 A19 A20 G21 E36 Q112 P115 G117 L118 A121 L140 P141 D143 Y179 G180 E201 K202 A214
• Binding residue (residue number reindexed from 1): P8 A9 A10 G11 E26 Q99 P102 G104 L105 A108 L127 P128 D130 Y166 G167 E188 K189 A201
• Annotation score: 4

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Mon Nov 25 15:14:53 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 = '2pa4', asym_id = 'D', bs = 'BS01', title = 'Active site geometry of glucose-1-phosphate uridylyltransferase.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='2pa4', asym_id='D', bs='BS01', title='Active site geometry of glucose-1-phosphate uridylyltransferase.')

   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 = '0003983,0006011,0009058', uniprot = '', pdbid = '2pa4', asym_id = 'D'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003983,0006011,0009058', uniprot='', pdbid='2pa4', asym_id='D')

    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>