Structure of PDB 6th4 Chain C Binding Site BS01

Receptor Information

>6th4 Chain C (length=434) Species: 9940 (Ovis aries)

MRECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSGDDSFNTFFSET
GAGKHVPRAVFVDLEPTVIDEVRTGTYRQLFHPEQLITGKEDAANNYARG
HYTIGKEIIDLVLDRIRKLADQCTGLQGFLVFHSFGGGTGSGFTSLLMER
LSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDCAFMVDN
EAIYDICRRNLDIERPTYTNLNRLISQIVSSITASLRFDGALNVDLTEFQ
TNLVPYPRIHFPLATYAPVISAEKAHEQLSVAEITNACFEPANQMVKCDP
RHGKYMACCLLYRGDVVPKDVNAAIATIKTKRSIQFVDWCPTGFKVGINY
QPPTVVPGGDLAKVQRAVCMLSNTTAIAEAWARLDHKFDLMYAKRAFVHW
YVGEGMEEGEFSEAREDMAALEKDYEEVGVDSVE

Ligand information

• Ligand ID: GTP
• InChI: InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
• InChIKey: XKMLYUALXHKNFT-UUOKFMHZSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
  CACTVS 3.370: NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
  CACTVS 3.370: NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
  OpenEye OEToolkits 1.7.6: c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
  ACDLabs 12.01: O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
• Formula: C10 H16 N5 O14 P3
• Name: GUANOSINE-5'-TRIPHOSPHATE
• ChEMBL: CHEMBL1233147
• DrugBank: DB04137
• ZINC: ZINC000060094177
• PDB chain: 6th4 Chain C Residue 503

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6th4 B-nor-methylene Colchicinoid PT-100 Selectively Induces Apoptosis in Multidrug-Resistant Human Cancer Cells via an Intrinsic Pathway in a Caspase-Independent Manner
• Resolution: 2.121 Å
• Binding residue (original residue number in PDB): Q11 A12 Q15 D98 A99 N101 S140 G143 G144 T145 G146 V177 S178 E183 N206 Y224 N228
• Binding residue (residue number reindexed from 1): Q11 A12 Q15 D92 A93 N95 S134 G137 G138 T139 G140 V171 S172 E177 N200 Y218 N222
• Annotation score: 4

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Fri Feb 21 20:03:23 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>()

   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 = '6th4', asym_id = 'C', bs = 'BS01', title = 'B-nor-methylene Colchicinoid PT-100 Selectively ...ntrinsic Pathway in a Caspase-Independent Manner '

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6th4', asym_id='C', bs='BS01', title='B-nor-methylene Colchicinoid PT-100 Selectively ...ntrinsic Pathway in a Caspase-Independent Manner ')

   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 = '0005200,0005525,0005874,0007017', uniprot = '', pdbid = '6th4', asym_id = 'C'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005200,0005525,0005874,0007017', uniprot='', pdbid='6th4', asym_id='C')

    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>