Structure of PDB 2g1u Chain A Binding Site BS01

Receptor Information
>2g1u Chain A (length=137) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KQKSKYIVIFGCGRLGSLIANLASSSGHSVVVVDKNEYAFHRLNSEFSGF
TVVGDAAEFETLKECGMEKADMVFAFTNDDSTNFFISMNARYMFNVENVI
ARVYDPEKIKIFEENGIKTICPAVLMIEKVKEFIIGS
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain2g1u Chain A Residue 301 [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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PDB2g1u Crystal structure of (tm1088a) from THERMOTOGA MARITIMA at 1.50 A resolution
Resolution1.5 Å
Binding residue
(original residue number in PDB)		G16 R17 D37 K38 D58 A59 T80 N81
Binding residue
(residue number reindexed from 1)		G13 R14 D34 K35 D55 A56 T77 N78
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 30 07:42:54 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 = '2g1u', asym_id = 'A', bs = 'BS01', title = 'Crystal structure of (tm1088a) from THERMOTOGA MARITIMA at 1.50 A resolution'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='2g1u', asym_id='A', bs='BS01', title='Crystal structure of (tm1088a) from THERMOTOGA MARITIMA at 1.50 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 = '0005886,0006813,0015079', uniprot = '', pdbid = '2g1u', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005886,0006813,0015079', uniprot='', pdbid='2g1u', 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>