Structure of PDB 1vko Chain A Binding Site BS01

Receptor Information
>1vko Chain A (length=511) Species: 6239 (Caenorhabditis elegans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KRLIVESPNVKLEDGVLESRFTYRKNHFEHRADGLHVTPKEHDYSFKTVL
KPRKTGLLLVGLGGNNGSTAVGSIFANQYAMTWRTKEGHSQANYFGSVTQ
TATVHLGYDSATQNQIFVPFKDIVPILSPNDLIISGWDISDSNLYEAMGR
AKVFEPELQEKLRPFMEPIVPLPSIYYPDFIASNQGDRANNVIPGDNKLE
HLEHIRADIRKFKQEHELECVIVLWTANTERYTDVRQGLNATADEIMESI
RVNEDEVSPSNIFAVASILEGAHYINGSPQNTLVPGLIELAERHKVFVGG
DDFKSGQTKFKSAFVDFLVSSGMKPESIVSYNHLGNNDGKNLSEARQFRS
KEISKSSVVDDMVKSNQILFPDAKNPDYCVVIKYVPYVADSKRAMDEYIC
SIFMGGKQTFVVHNTCEDSLLASPLIYDLAILTELASRVSYKVDDEYKPF
HSVLSILSLLLKAPVVPPGTPISNAFMRQFSTLTKLVTALAGFPSDTDMQ
IEFFTQLPAAK
Ligand information
Ligand IDNAD
InChIInChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyBAWFJGJZGIEFAR-NNYOXOHSSA-N
SMILES
SoftwareSMILES
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)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)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)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]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)O)O)O)O)C(=O)N
FormulaC21 H27 N7 O14 P2
NameNICOTINAMIDE-ADENINE-DINUCLEOTIDE
ChEMBLCHEMBL1234613
DrugBankDB14128
ZINC
PDB chain1vko Chain A Residue 601 [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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PDB1vko Crystal structure of inositol-3-phosphate synthase (ce21227) from Caenorhabditis elegans at 2.30 A resolution
Resolution2.3 Å
Binding residue
(original residue number in PDB)
V70 G71 G74 N75 N76 D148 I149 S184 I185 R198 T236 A237 N238 T239 D312 F313 S315 N347 D348 K361 D428 A432
Binding residue
(residue number reindexed from 1)
V60 G61 G64 N65 N66 D138 I139 S174 I175 R188 T226 A227 N228 T229 D302 F303 S305 N337 D338 K351 D418 A422
Annotation score1
Gene Ontology
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UnboundLocalError
Python 3.6.8: /usr/bin/python3
Sat Nov 16 09:48:01 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 = '1vko', asym_id = 'A', bs = 'BS01', title = 'Crystal structure of inositol-3-phosphate syntha... from Caenorhabditis elegans at 2.30 A resolution'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='1vko', asym_id='A', bs='BS01', title='Crystal structure of inositol-3-phosphate syntha... from Caenorhabditis elegans at 2.30 A resolution')
   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 = '0004512,0006021,0008654', uniprot = '', pdbid = '1vko', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004512,0006021,0008654', uniprot='', pdbid='1vko', asym_id='A')
    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>