Structure of PDB 7e7h Chain A Binding Site BS01

Receptor Information
>7e7h Chain A (length=435) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSRAGVGYDVIVIGGGFAGVTAAREASRSGLKTLILEGRSRLGGRTFTSK
LQNQKVELGGTWVHWTQPNVWTEIMHYGLEVEETVPETVIWVTEDNVKRA
PAAEAFEIFGSACNEYYKEARNIYPRPFEPFFERKKLQHVDGLSAADYLE
KLPLTREQKDMMDSWLSGNGHNYPETIAYSEIMRWFALSNFNMPTMFDSI
ARYKIKTGTHSLLEAIMADGNSEVKLSTPVTKVNQDKDKVTVTTEDGVFT
ASAVIVAVPINTLHDIEYSPKLSAAKVDMGSQRHAGAGVKGYIRVAQNVG
NVMTYAPARNKLTPFTSVFTDHVDEAGTLLIAFSADPKLIDINDIKAVEK
ALQPLLPGVEVTASYGYDWNLDPFSKGTWCTYRPNQTTRYLTELQKREGR
LFFAGSDMANGWRGFIDGAIENGREVGHQVATYLK
Ligand information
Ligand IDFAD
InChIInChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
InChIKeyVWWQXMAJTJZDQX-UYBVJOGSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C
ACDLabs 10.04O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C
FormulaC27 H33 N9 O15 P2
NameFLAVIN-ADENINE DINUCLEOTIDE
ChEMBLCHEMBL1232653
DrugBankDB03147
ZINCZINC000008215434
PDB chain7e7h 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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PDB7e7h Crystal Structure of a pseudooxynicotine amine oxidase Pnao from Pseudomonas putida S16
Resolution2.2 Å
Binding residue
(original residue number in PDB)		G65 G67 A69 E88 G89 R90 G95 R96 G110 G111 T112 W113 V285 V313 P314 I321 W424 F429 T433 W434 G460 S461 G469 F470 I471 A474
Binding residue
(residue number reindexed from 1)		G14 G16 A18 E37 G38 R39 G44 R45 G59 G60 T61 W62 V230 V258 P259 I266 W369 F374 T378 W379 G405 S406 G414 F415 I416 A419
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Mon Feb 17 07:57:12 2025

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 = '7e7h', asym_id = 'A', bs = 'BS01', title = 'Crystal Structure of a pseudooxynicotine amine oxidase Pnao from Pseudomonas putida S16'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7e7h', asym_id='A', bs='BS01', title='Crystal Structure of a pseudooxynicotine amine oxidase Pnao from Pseudomonas putida S16')
   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', uniprot = '', pdbid = '7e7h', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016491', uniprot='', pdbid='7e7h', 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>