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Structure of PDB 5k27 Chain B Binding Site BS01

Receptor Information >5k27 Chain B (length=449) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] MEDIKKISIFLAYNVNVDAIKYLKEEDIQKLIEEFGEEEIIEKIEEYPRK IKEPLDFVARLIHAIKTGKPAEVPLDNEELNKWFDSLFKYDEERMGGQVG IIANLLAILDLKKVIAYSPLLSKKQAEMFNNDLLYPIVENGKLVLKKPIE AYKDNDPIKINRIFEFKEGIKFKLGDEKIIAPQANRFIVASRPLARIEIK EDLKKYLPEIGEMVDCAILSGYQGIKEKYSDGKTAEYYFKRAKEDIKLLK KKDIKVHLEFASIQNIKIRKKVVDYILPNVDSVGMDETEIANILNILGYE ELSEKILKDSKIEDVIEGAKILLDKFNLEVVQVHTIYYILFISKKDNPLS KEELKKTLEFATILAATKAKLGDIKNIEDLKVGLKVPHNKYGELLKEIVE KLKKKKKKEDYKIVLIPSRFVENPKSTVGLGDTISTGAFVSYVSLLKKK

Ligand information Ligand ID AMP InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 InChIKey UDMBCSSLTHHNCD-KQYNXXCUSA-N SMILES Software SMILES CACTVS 3.370 Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O CACTVS 3.370 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O OpenEye OEToolkits 1.7.6 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N ACDLabs 12.01 O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O OpenEye OEToolkits 1.7.6 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N Formula C10 H14 N5 O7 P Name ADENOSINE MONOPHOSPHATE ChEMBL CHEMBL752 DrugBank DB00131 ZINC ZINC000003860156 PDB chain 5k27 Chain B Residue 501 [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 5k27 Reconstructed ancestral enzymes reveal that negative selection drove the evolution of substrate specificity in ADP-dependent kinases. Resolution 2.58 Å Binding residue (original residue number in PDB) T337 I338 F422 V423 G431 L432 G433 I436 Binding residue (residue number reindexed from 1) T335 I336 F420 V421 G429 L430 G431 I434 Annotation score 4

Gene Ontology --> -->

UnboundLocalError

Python 3.6.8: /usr/bin/python3 Tue May 20 05:15:05 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/BioLiP2/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 = '5k27', asym_id = 'B', bs = 'BS01', title = 'Reconstructed ancestral enzymes reveal that nega... substrate specificity in ADP-dependent kinases. '

/var/www/html/BioLiP2/pdb.cgi in display_interaction(pdbid='5k27', asym_id='B', bs='BS01', title='Reconstructed ancestral enzymes reveal that nega... substrate specificity in ADP-dependent kinases. ')

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 = '0000287,0005737,0005975,0006000,0006096,0008443,0016773', uniprot = '', pdbid = '5k27', asym_id = 'B'

/var/www/html/BioLiP2/pdb.cgi in display_go(go='0000287,0005737,0005975,0006000,0006096,0008443,0016773', uniprot='', pdbid='5k27', asym_id='B')

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>