Structure of PDB 7rnl Chain P Binding Site BS04

Receptor Information

>7rnl Chain P (length=559) Species: 4932 (Saccharomyces cerevisiae)

MKYVVVSGGVISGIGKGVLASSTGMLLKTLGLKVTSIKIDPYMNIDAGTM
SPLEHGECFVLDDGGETDLDLGNYERYLGITLSRDHNITTGKIYSHVISR
ERRGDYLGKTVQIVPHLTNAIQDWIQRVSKIPVDDTGLEPDVCIIELGGT
VGDIESAPFVEALRQFQFEVGRENFALIHVSLVPVIHGEQKTKPTQAAIK
DLRSLGLIPDMIACRCSEELNRSTIDKIAMFCHVGPEQVVNVHDVNSTYH
VPLLLLKQHMIDYLHSRLKLGEVPLTLEDKERGSQLLTNWENMTKNLDDS
DDVVKIALVGKYTNLKDSYLSVTKSLEHASMKCRRQLEILWVEASNLEPE
TQEVDKNKFHDSWNKLSSADGILVPGGFGTRGIEGMILAAKWARESGVPF
LGVCLGLQVAAIEFARNVIGRPNSSSTEFLDETLLAPEDQVVITMRLGLR
PTIFQPNSEWSNIRKLYGEVNEVHERHRHRYEINPKIVNDMESRGFIFVG
KDETGQRCEIFELKGHPYYVGTQYHPEYTSKVLEPSRPFWGLVAAASGTL
GEVIKDINL

Ligand information

• Ligand ID: CTP
• InChI: InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
• InChIKey: PCDQPRRSZKQHHS-XVFCMESISA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
  OpenEye OEToolkits 1.5.0: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O
  CACTVS 3.341: NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O
  ACDLabs 10.04: O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
  CACTVS 3.341: NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O
• Formula: C9 H16 N3 O14 P3
• Name: CYTIDINE-5'-TRIPHOSPHATE
• ChEMBL: CHEMBL223533
• DrugBank: DB02431
• ZINC: ZINC000003861746
• PDB chain: 7rnl Chain P Residue 603

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7rnl Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
• Resolution: 3.7 Å
• Binding residue (original residue number in PDB): I11 S12 D153 E155
• Binding residue (residue number reindexed from 1): I11 S12 D153 E155
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 6.3.4.2: CTP synthase (glutamine hydrolyzing).

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Mon Nov 25 22:46:32 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 = '7rnl', asym_id = 'P', bs = 'BS04', title = 'Cryo-EM structures of CTP synthase filaments rev...nsitive assembly during budding yeast starvation.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7rnl', asym_id='P', bs='BS04', title='Cryo-EM structures of CTP synthase filaments rev...nsitive assembly during budding yeast starvation.')

   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 = '0003883,0006221,0006241', uniprot = '', pdbid = '7rnl', asym_id = 'P'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003883,0006221,0006241', uniprot='', pdbid='7rnl', asym_id='P')

    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>