Structure of PDB 7tgm Chain E Binding Site BS02

Receptor Information

>7tgm Chain E (length=591) Species: 35619 (Streptomyces griseoflavus)

SLTDAVAHLSPERWEEANRLLVRKALAEFAHERLFTPEPADGQDGRYVVR
SDDGLTSYRFTAVRRALDHWQVDAGSITRTRDGAELPLAALDFFIELRHT
LGLSDEILPVYLEEISSTLSGTCYKLTKPQVTAAGLLEGGFQALESGMTE
GHPCFVANNGRLGFGVDEYLAYAPETAHPVRLVWLAAHRSRAAFTAGAGI
DYASFVRQELGEETVERFDGVLRGRGLDPADYLLIPVHPWQWWNKLSVTF
AAEVARQNLVCLGESDDEYLAQQSIRTFFNATHPEKHYVKTALSVLNMGF
MRGLSAAYMEATPAINDWLDRLIDNDPVLKSTGLSIIRERAAVGYRHLEY
EAATDRYSPYRKMLAALWRESPVPALRDGESLTTMAALVHVDHEGRSVAG
ELIARSGLAPTAWLRHYLRAYYTPLLHSFYAYDLAFMPHGENTILVLKDG
VVQRAVYKDIAEEIVVMDPDAVLPPEVRRVRAEVPEDMKLLSIFTDVFDC
FFRFLAAGLATEEVLAEDDFWRTVAEVTREYQEAHPELDDRFRQYDLFAP
EFALSCLNRLQLRDNRQMVDLADPSAALQLVGTLRNPLAGL

Ligand information

• Ligand ID: LMS
• InChI: InChI=1S/C10H14N6O6S/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H2,12,19,20)/t4-,6-,7-,10-/m1/s1
• InChIKey: GNZLUJQJDPRUTD-KQYNXXCUSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)N
  CACTVS 3.341: Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](N)(=O)=O)[CH](O)[CH]3O
  CACTVS 3.341: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[S](N)(=O)=O)[C@@H](O)[C@H]3O
  OpenEye OEToolkits 1.5.0: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)N)O)O)N
  ACDLabs 10.04: O=S(=O)(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)N
• Formula: C10 H14 N6 O6 S
• Name: [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATE
• ChEMBL: CHEMBL471144
• DrugBank: DB02916
• PDB chain: 7tgm Chain E Residue 610

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7tgm An acyl-adenylate mimic reveals the structural basis for substrate recognition by the iterative siderophore synthetase DesD.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): G152 H153 Q274 N298 M299 R303 H440 E442 N443
• Binding residue (residue number reindexed from 1): G151 H152 Q273 N297 M298 R302 H439 E441 N442
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Sat Nov 16 15:46:40 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 = '7tgm', asym_id = 'E', bs = 'BS02', title = 'An acyl-adenylate mimic reveals the structural b...ion by the iterative siderophore synthetase DesD.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7tgm', asym_id='E', bs='BS02', title='An acyl-adenylate mimic reveals the structural b...ion by the iterative siderophore synthetase DesD.')

   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 = '0019290', uniprot = '', pdbid = '7tgm', asym_id = 'E'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0019290', uniprot='', pdbid='7tgm', 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>