Structure of PDB 3mco Chain A Binding Site BS03

Receptor Information

>3mco Chain A (length=397) Species: 376619 (Francisella tularensis subsp. holarctica LVS)

MVQYIIGIGTNSGFTIENIHLAITALESQQNIRIIRKASLYSSKAVLKAP
KEWDIRFLNTAVKISSSLKPDELLVLLKDIELKIGRDLNAPAWSPRVIDL
DILAAEDLILETDKLTIPHKELINRSFALAPLLELSKGWHHPKYVEWDLN
IRLKELGEIVKLKQTLANTIRMGIVNLSNQSFSDGNFDDNQRKLNLDELI
QSGAEIIDIGAESTKPDPISIEEEFNKLNEFLEYFKSQLANLIYKPLVSI
DTRKLEVMQKILAKHHDIIWMINDVECNNIEQKAQLIAKYNKKYVIIHNV
CDYIEQKKQILLKHGIAQQNIYFDIGFGFGDTARYLLENIIEIKRRLELK
ALVGHSRKPSVLGLTKDSNLATLDRATRELSRKLEKLDIDIIRVHKI

Ligand information

• Ligand ID: APC
• InChI: InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1
• InChIKey: CAWZRIXWFRFUQB-IOSLPCCCSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N
  CACTVS 3.341: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)C[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
  OpenEye OEToolkits 1.5.0: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N
  ACDLabs 10.04: O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
  CACTVS 3.341: Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
• Formula: C11 H18 N5 O12 P3
• Name: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER;
  ALPHA,BETA-METHYLENEADENOSINE-5'-TRIPHOSPHATE
• ChEMBL: CHEMBL132722
• DrugBank: DB02596
• ZINC: ZINC000008295117
• PDB chain: 3mco Chain A Residue 425

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3mco Crystal structure of the 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.dihydropteroate synthase bifunctional enzyme from Francisella tularensis.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): L76 K80 R88 W95 R98 D101 D103 I104 K116 L117 T118 H121 R127
• Binding residue (residue number reindexed from 1): L74 K78 R86 W93 R96 D99 D101 I102 K114 L115 T116 H119 R125
• Annotation score: 3

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Sun Nov 24 18:50:27 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 = '3mco', asym_id = 'A', bs = 'BS03', title = 'Crystal structure of the 6-hydroxymethyl-7,8-dih...bifunctional enzyme from Francisella tularensis. '

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3mco', asym_id='A', bs='BS03', title='Crystal structure of the 6-hydroxymethyl-7,8-dih...bifunctional enzyme from Francisella tularensis. ')

   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 = '0003848,0004156,0009396,0042558,0044237', uniprot = '', pdbid = '3mco', asym_id = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003848,0004156,0009396,0042558,0044237', uniprot='', pdbid='3mco', 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>