Structure of PDB 7c4l Chain A Binding Site BS01

Receptor Information
>7c4l Chain A (length=611) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIPKEVKVAIVGAGMSGLYSAWRLQSEANVGDLAIFERSDRTGGRLDSDL
IEFKDNRAGGSTITVKEEQGGMRFLFEGMDDLMALFLKLGLEDQIVPFPM
NSGGNNRLYFRGTSFSVNDAEQDDYHIWSALYNLDPSEQGVNPKDIINVV
FNRILQVNPQFPEVRGPEFWQNFRLQCQWQGEPLYNWSLWDLLTDMGYSQ
ECITMLYRVLGFNGTFLSKMNAGVAYQLLEDFPADVEFRTFKDGFSTLPN
ALVDKIGKDKIHLQTSIDSIAFDKADSKYVLKYTKIDQSGQVSEGKFKAE
KVILGLPRLALEKLFIASDAFKQLPKKRRDELWDTLQSTSNQPLLKINLY
YDTAWWGTGMTGRPAVSFGPNFADLPTGSVYPFYALNDELAAALMYDERH
ATPNPDTQHKLDGIDAAKYARPAALTIYCDYLNINFWSALQNKGELYHHP
HESELVESIPSDIFPASEAVVQQATQFFKDIFNTHYVPQPTLTSARIWEG
NVNFNVPENLQFGFGVHQWAIGANDKEVIEDLVEPLPNLFTCGEAYSDYQ
GWVEGALRSTDLVLQKGFGLAPLSEVYEQDQGRSSSEAIQIAYRKISNKM
IMEYIDPNFSP
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 chain7c4l Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7c4l Ancestral L-amino acid oxidases for deracemization and stereoinversion of amino acids
Resolution2.6 Å
Binding residue
(original residue number in PDB)		G25 S29 F49 E50 R51 G57 R58 L59 G86 G87 M88 R89 I286 L325 L363 W517 G534 G562 E563 G570 W571 V572
Binding residue
(residue number reindexed from 1)		G12 S16 F36 E37 R38 G44 R45 L46 G70 G71 M72 R73 I267 L306 L344 W498 G515 G543 E544 G551 W552 V553
Annotation score4
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Tue Nov 26 14:15:12 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 = '7c4l', asym_id = 'A', bs = 'BS01', title = 'Ancestral L-amino acid oxidases for deracemization and stereoinversion of amino acids'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7c4l', asym_id='A', bs='BS01', title='Ancestral L-amino acid oxidases for deracemization and stereoinversion of amino acids')
   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 = '7c4l', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016491', uniprot='', pdbid='7c4l', 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>