Structure of PDB 6pop Chain E Binding Site BS01

Receptor Information
>6pop Chain E (length=475) Species: 1872678 (Pseudoalteromonas fuliginea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLSKQLYIGGKLITSDATTEIINPATLEIVGEISAAGINEANMALESAQE
AFSSWSTTPAIERAQWMLKLRDAVIANEQHLRECVHLEMAKPWQSTADDF
QMLVDSLNFYADAIVNIADEEIKDNEGTHSHVLSREPVGVAAAFLAWNFP
LLNLAYKLGPAMAAGCPLVVKPSSKTPLSAYAVGELCEQIGLPAGVVNIL
SGMDSTVGDAISASTIPSVLTLIGSTNVGKHVIATGATSIKRYSMELGGN
APAIVCSDANLDNAADVICGVKFANAGQICVTPNRVFVHESVADEFIEKV
LTRAKAVKVGFDKNEAIDMGPVMDANSWQRIDELVKDAQQNGAQLQLGGK
KPTGVNGYFYEPTVLTNVDSSMKIYKDEIFGPVISIIIFSDNEQVLSDAN
DTDAGLSSFIFSSNEDTISYFAKHLRFGEVQVNGIKYSINLPHFGIKQSG
VGVDCSLLALDDYLAYKRVSRALKV
Ligand information
Ligand IDNAP
InChIInChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyXJLXINKUBYWONI-NNYOXOHSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
CACTVS 3.341NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
CACTVS 3.341NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@@](O)(=O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
FormulaC21 H28 N7 O17 P3
NameNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE;
2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE
ChEMBLCHEMBL295069
DrugBankDB03461
ZINC
PDB chain6pop Chain E 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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PDB6pop Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Resolution2.147 Å
Binding residue
(original residue number in PDB)		F144 L145 W147 N148 S173 S174 D204 G208 I223 G224 S225 V228 H231 E246 L247 G248 C280 E378 F380 H443
Binding residue
(residue number reindexed from 1)		F144 L145 W147 N148 S173 S174 D204 G208 I223 G224 S225 V228 H231 E246 L247 G248 C280 E378 F380 H443
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 15 22:51:38 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 = '6pop', asym_id = 'E', bs = 'BS01', title = 'Insights into the kappa / iota-carrageenan metab...m pathway of some marinePseudoalteromonasspecies.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6pop', asym_id='E', bs='BS01', title='Insights into the kappa / iota-carrageenan metab...m pathway of some marinePseudoalteromonasspecies.')
   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 = '0016491,0016620', uniprot = '', pdbid = '6pop', asym_id = 'E'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016491,0016620', uniprot='', pdbid='6pop', asym_id='E')
    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>