Structure of PDB 7c4n Chain A Binding Site BS01

Receptor Information
>7c4n Chain A (length=614) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIPKEVKVAIVGAGMSGLYSAWRLQSEANVGDLAIFERSDRTGGRLDSDL
IEFKDNRAGAGSTITVKEEQGGMRFLFEGMDDLMALFLKLGLEDQIVPFP
MNSGGNNRLYFRGTSFSVNDAEQDDYHIWSALYNLDPSEQGVNPKDIINV
VFNRILQVNPQFDSRPEVRGPEFWQNFRLQCQWQGEPLYNWSLWDLLTDM
GYSQECITMLYRVLGFNGTFLSKMNAGVAYQLLEDFPADVEFRTFKDGFS
TLPNALVDKIGKDKIHLQTSIDSIAFDKADSKYVLKYTKIDQSGQVSEGK
FKAEKVILGLPRLALEKLFIASDAFKQLPKKRRDELWDTLQSTSNQPLLK
INLYYDTAWWGTGMTGRPAVSFGPNFADLPTGSVYPFYALNDELAAALMY
DERHATPNPDTQHKLDGIDAAKYARPAALTIYCDYLNINFWSALQNKGEL
YHHPHESELVESIPSDIFPASEAVVQQATQFFKDIFNTHYVPQPTLTSAR
IWEGNVNFNVPENLQFGFGVHQWAIGANDKEVIEDLVEPLPNLFTCGEAY
SDYQGWVEGALRSTDLVLQKGFGLAPLSEVYEQDQGRSSSEAIQIAYRKI
SNKMIMEYIDPNFS
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 chain7c4n 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

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PDB7c4n Ancestral L-amino acid oxidases for deracemization and stereoinversion of amino acids
Resolution2.2 Å
Binding residue
(original residue number in PDB)		V24 G25 G27 S29 F49 E50 R51 G57 R58 L59 G86 G87 M88 R89 I286 L325 A329 L363 Y447 G534 G562 E563 G570 W571 V572
Binding residue
(residue number reindexed from 1)		V11 G12 G14 S16 F36 E37 R38 G44 R45 L46 G71 G72 M73 R74 I271 L310 A314 L348 Y432 G519 G547 E548 G555 W556 V557
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 23 03:28:49 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 = '7c4n', 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='7c4n', 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 = '7c4n', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016491', uniprot='', pdbid='7c4n', 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>