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Structure of PDB 5xkt Chain A Binding Site BS01

Receptor Information >5xkt Chain A (length=199) Species: 861365 (Klebsiella pneumoniae subsp. rhinoscleromatis SB3432) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] HPLRVGVGGPVGSGKTALLEALCKAMRDTWQLAVVTNDIYTKEDQRILTE AGTLAPERIVGVETGGCPHTAIREDASMNLAAVEALSEKFGNLDLIFVES GGDNLSATFSPELADLTIYVIDVAEGEKIPRKGGPGITRSDFLVINKTDL APYVGASLKVMASDTQRMRGDRPWTFTNLKQGDGLSTIIAFLEDKGMLG

Ligand information Ligand ID GNP InChI InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1 InChIKey UQABYHGXWYXDTK-UUOKFMHZSA-N SMILES Software SMILES ACDLabs 10.04 O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O OpenEye OEToolkits 1.5.0 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N OpenEye OEToolkits 1.5.0 c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N CACTVS 3.341 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O CACTVS 3.341 NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O Formula C10 H17 N6 O13 P3 Name PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER ChEMBL CHEMBL1233085 DrugBank DB02082 ZINC ZINC000037868676 PDB chain 5xkt Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 5xkt Structural insights into how GTP-dependent conformational changes in a metallochaperone UreG facilitate urease maturation. Resolution 1.8 Å Binding residue (original residue number in PDB) V16 G17 G19 K20 T21 A22 E104 N151 K152 D154 N183 K185 Binding residue (residue number reindexed from 1) V11 G12 G14 K15 T16 A17 E99 N146 K147 D149 N178 K180 Annotation score 3

Gene Ontology --> -->

UnboundLocalError

Python 3.6.8: /usr/bin/python3 Wed May 21 20:43:58 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>()

1701     title=pdb2title(pdbid)

1702     if bs.startswith("BS"):

=> 1703         pubmed,uniprot=display_interaction(pdbid,asym_id,bs,title)

1704     else:

1705         if lig3:

pubmed = '', uniprot = '', display_interaction = <function display_interaction>, pdbid = '5xkt', asym_id = 'A', bs = 'BS01', title = 'Structural insights into how GTP-dependent confo...tallochaperone UreG facilitate urease maturation.'

/var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='5xkt', asym_id='A', bs='BS01', title='Structural insights into how GTP-dependent confo...tallochaperone UreG facilitate urease maturation.')

1326         display_ec(ec,csaOrig,csaRenu)

1327     if go:

=> 1328         display_go(go,uniprot,pdbid,asym_id)

1329     return pubmed,uniprot

1330

global display_go = <function display_go>, go = '0003924,0016151,0043419', uniprot = '', pdbid = '5xkt', asym_id = 'A'

/var/www/html/BioLiP/pdb.cgi in display_go(go='0003924,0016151,0043419', uniprot='', pdbid='5xkt', asym_id='A')

484         '''.replace("$namespace_link",namespace_link

485           ).replace("$namespace",namespace

=>  486           ).replace("$uniprot",u

487         ))

488         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>