Structure of PDB 4v59 Chain L Binding Site BS02

Receptor Information
>4v59 Chain L (length=2060) Species: 5541 (Thermomyces lanuginosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSLRPLVLTHGSLEFSFLVPTSLHFQAAQLKDSFLATLPQPTEELAQDDE
PSSVVELVARYIAFVAHEVDEGDEDAHPTNLEVLKLILNEFERAFMRGND
VHAIAANVAGITAKKIGVVRAYYAGRAAAGRAPKPYDSALFRAAAENNVK
IYSIFGGQGNIEEYFDELREIYTTYPSFVEDLITSIAELLQSLAREWDAV
KQYPKGLDILQWLHNPESQPDTDYLVSAPVSFPLIGLVQLAHYMITCKTL
GREPGELLERFSGTTGHSQGIVVAAAIATARTWDEFATAAKRAVELLFWI
GLRSQQAYPRTSLAPSTLQDSVENGEGTPTPMLSIRDLTRSAVQEHIDAT
NQHLPEDRHIGISLVNSARNFVVTGPPISLYGLNLRLRKVKAPTGLDQNR
IPFTQRKARFVNRFLPITAPFHSPYLAGAHAHILGDVDDMKIPASSLVIP
VYDTKTGQDLRELGDEDIIPELVRMITYDPVNWETATVFPDATHIVDFGP
GGVSGIGVLTNRNKDGTGVRVILAGAIDGTNTEVGYKPELFDRDDNAVQF
AVDWVKEHGPRLVKTSVGQTFVDTKMSRLLGVPPVMVAGMTPTTVPWDFV
AATMNAGYHIELAGGGYYNAQKMSDAISKIEKAIPPGRGITVNLIYVNPR
AMGWQIPLLGRLRADGVPIEGLTIGAGVPSIEVANEYIQTLGIRHISFKP
GSVDAIQQVINIAKANPTFPIILQWTGGRGGGHHSFEDFHQPILLMYSRI
RKCSNIVLVAGSGFGGSEDTYPYLTGSWSTKFGYPPMPFDGCMFGSRMMT
AKEAHTSKQAKQAIVDAPGVDDDQWENTYKRPTGGVITVLSEMGEPIHKL
ATRGVLFWKELDDKIFSLDRSKRVAELKKRRDYIIKKLNDDFQKVWFGRN
SAGEPVDLEDMTYAEVVHRMVELMYVKHEKRWIDPSLKKLTGDFIRRVEE
RFTSVEGQPSLLQNYSDLDEPYPAVDRILAAYPEASTQLINAQDVQHFLL
LCQRRGQKPVPFVPALDENFEYWFKKDSLWQSEDIEAVYGQDVGRTCILQ
GPVAAKYSKVIDEPIKDILDGIHNDHIKFLLRDLYDGKEENVPVIEYFGG
RILKATDEEPDIDGLTASRDANKISYRLSNAPSANLPDVDSFMQLIAGNS
YSWRHAMFTTEVFVQGHRFQTNPLKRLFAPTRGMYVEITNPDDPAKTVIS
VREPSQSAKLVKTVEIKLVGDNEIALTLFEGRTAEGGVVPLTFRFTYHPE
AGYAPIREVMEGRNDRIKEFYYRVWFAEKEVPFDTPLTAVFDGGREIVNA
QAVADFVHAVGNTGEAFVDRGKDFFAPMDFAIVVGWKAITKPIFPRKIDG
DLLKLVHLSNGYRMVPGAEPLKVGDVLDTTAQINAVINQDSGKMVEVCGT
LKRDGKPVMYVTSQFLYRGVYTDYENTFQRKDEVPMQLHIATPQDLAVLR
SKEWFKLDDQHDIELLGQTLVFRLQSLVRFKNKNVYSSVQTIGQVLLELP
TKEIIQVASVDYEAGESHGNPVIDYLQRHGSSIEQPVNFENPIPLSGKTP
LELRAPASNENYARVSGDYNPIHVSRVFSSYANLPGTITHGMYTSAAVRS
LVETWAAENNIGRVRSYHVNMVGMVLPNDAITVKLEHVGMIAGRKIIKVD
ARNKDTDESVLQGEAEVEQPVTAYVFTGQGSQEQGMGMDLYATSPVAKEV
WDRADKHFRENYGFSIIDIVKNNPKELTVHFGGPRGKIIRQNYMSMTFET
VNADGSIKTEKIFKEVDENSTSYTYRSPSGLLSATQFTQPALTLMEKASF
EDMRSKGLVQRDSTFAGHSLGEYSALVALADVMPIESLVSVVFYRGLTMQ
VAVERDEQGRSNYAMCAVNPSRISPTFTEQALQYVVENIAEVTGWLLEIV
NYNVANMQYVAAGDLRALDTLANVLNILKMQKIDIQALMQSMSLEDVRAH
LVEIIQECRKQTEAKPQPVQLERGFATIPLRGIDVPFHSTFLRSGVKPFR
SFLLKKINKTTIDPSKLIGKYIPNVTAKPFEISKEYFEEVHRLTGSPKIA
NILANWDKYE
Ligand information
Ligand IDNAP
InChIInChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyXJLXINKUBYWONI-NNYOXOHSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
CACTVS 3.341NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
CACTVS 3.341NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@@](O)(=O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
FormulaC21 H28 N7 O17 P3
NameNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE;
2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE
ChEMBLCHEMBL295069
DrugBankDB03461
ZINC
PDB chain4v59 Chain L Residue 2102 [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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PDB4v59 Structure of Fungal Fatty Acid Synthase and Implications for Iterative Substrate Shuttling
Resolution3.1 Å
Binding residue
(original residue number in PDB)		T609 Y636 H751 D952 K1026 P1027 K1044 D1045 L1067
Binding residue
(residue number reindexed from 1)		T591 Y618 H733 D934 K1008 P1009 K1026 D1027 L1049
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 30 20:00:34 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 = '4v59', asym_id = 'L', bs = 'BS02', title = 'Structure of Fungal Fatty Acid Synthase and Implications for Iterative Substrate Shuttling'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4v59', asym_id='L', bs='BS02', title='Structure of Fungal Fatty Acid Synthase and Implications for Iterative Substrate Shuttling')
   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 = '0004312,0004313,0004314,0004318,0005835,0006633,0016740,0019171', uniprot = '', pdbid = '4v59', asym_id = 'L'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004312,0004313,0004314,0004318,0005835,0006633,0016740,0019171', uniprot='', pdbid='4v59', asym_id='L')
    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>