Structure of PDB 6yk9 Chain B Binding Site BS01

Receptor Information
>6yk9 Chain B (length=341) Species: 694436 (Methanolacinia paynteri G-2000) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TIKKVAILGAGCYRTHSATGITNFARACEVAEMVGKPEIAMTHSTIAMAA
ELKYLAGIDNIVISDPSFAGEFTVVKDFDYNEVIKAHKENPETIMPKIRE
KVNELAKTVPKPPKGAIHFVHPEDLGLKVTTDDREAVRDADLIITWLPKG
DMQKGIIEKFAGDIKQGAIITHACTIPTTLFYKIFEELGIADKVEVTSYH
PGAVPEMKGQVYIAEGYASEEAINTIYELGKKARGHAFKLPAELIGPVCD
MCAALTAITYAGLLVYRDAVMNILGAPAGFSQMMATESLEQITAYMKKVG
IKNLEENLDPGVFLGTADSMNFGPIAEILPTVLKSLEKRAK
Ligand information
Ligand ID5GP
InChIInChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyRQFCJASXJCIDSX-UUOKFMHZSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H14 N5 O8 P
NameGUANOSINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL283807
DrugBankDB01972
ZINCZINC000002159505
PDB chain6yk9 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6yk9 The Hydride Transfer Process in NADP-dependent Methylene-tetrahydromethanopterin Dehydrogenase.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		L9 G12 S65 D66 P67 P113 P114 D134 W147 L148 P149 I157
Binding residue
(residue number reindexed from 1)		L8 G11 S64 D65 P66 P112 P113 D133 W146 L147 P148 I156
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Mon Nov 25 04:57:57 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 = '6yk9', asym_id = 'B', bs = 'BS01', title = 'The Hydride Transfer Process in NADP-dependent Methylene-tetrahydromethanopterin Dehydrogenase.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6yk9', asym_id='B', bs='BS01', title='The Hydride Transfer Process in NADP-dependent Methylene-tetrahydromethanopterin Dehydrogenase.')
   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 = '0019386,0047068', uniprot = '', pdbid = '6yk9', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0019386,0047068', uniprot='', pdbid='6yk9', asym_id='B')
    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>