Structure of PDB 5kr6 Chain B Binding Site BS01

Receptor Information
>5kr6 Chain B (length=460) Species: 286 (Pseudomonas) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMTDTDDLLEMDRAHFFHPSTHLRDHASGELPGRIITGGKGIRIQDSEG
REYIDAFAGLYCVNVGYGRTEIADAIYEQAKELAYYHTYVGHSNEPIIEL
SERIIREWAPAGMSKVYYGMSGSDANETQIKLVWYYNNVLGRPQKKKIIS
RQRGYHGSGIMTGSLTGLPAFHNHFDLPLEPIRHTTCPHYYRAPAGMSEA
EFSRHCADELEKMILAEGPDTVAAFIGEPVMGTGGIVPPPEGYWEAIQAV
LNKYDILLIADEVVCGFGRTGSMFGSHHYGMKPDLITVAKGLTSAYAPLS
GVIVGEKVWKVLEQGSDQYGPIGHGWTYSGHPICAAAALANLDIIERENL
TGNAADTGAYFQQRMRETFGDHPLVGEVRGVGLMAALEFVADKDKRTRFD
PSLKVGPRVSAACLEDGMIARAMPHGDILGFAPPLVITRAEVDEIVDIAK
QAVDAVADEL
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain5kr6 Chain B Residue 501 [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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PDB5kr6 Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Resolution1.99 Å
Binding residue
(original residue number in PDB)		S119 G120 S121 Y153 H154 G155 E226 D259 V261 K288
Binding residue
(residue number reindexed from 1)		S121 G122 S123 Y155 H156 G157 E228 D261 V263 K290
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Tue Dec 3 00:11:00 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 = '5kr6', asym_id = 'B', bs = 'BS01', title = 'Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='5kr6', asym_id='B', bs='BS01', title='Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction')
   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 = '0008483,0030170', uniprot = '', pdbid = '5kr6', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0008483,0030170', uniprot='', pdbid='5kr6', 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>