Structure of PDB 7dco Chain A Binding Site BS06

Receptor Information
>7dco Chain A (length=2205) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LYTPKAEMPPEHLRKIINTHSDMASKMYNTDKKAFLGALKYLPHAILKLL
ENMPHPWEQAKEVKVLYHTSGAITFVNETPRVIEPVYTAQWSATWIAMRR
EKRDRTHFKRMRFPPFDDDEPPLSYEQHIENIEPLDPINLPLDSQDDEYV
KDWLYDSRPLEEDSKKVNGTSYKKWSFDLPEMSNLYRLSTPLRDEVTDKN
YYYLFDKKSFFNGKALNNAIPGGPKFEPLYPREEEEDYNEFNSIDRVIFR
VPIRSEYKVAFPHLYNSRPRSVRIPWYNNPVSCIIQNDEEYDTPALFFDP
SLNPIDFTLPEDFAPLLAEEEELILPNTKDAMSLYHSPFPFNRTKGKMVR
AQDVALAKKWFLQHPDEEYPVKVKVSYQKLLKNYVLNELHPTLPTNHNKT
KLLKSLKNTKYFQQTTIDWVEAGLQLCRQGHNMLNLLIHRKGLTYLHLDY
NFNLKPTKTLTTKERKKSRLGNSFHLMRELLKMMKLIVDTHVQFRLGNVD
AFQLADGIHYILNHIGQLTGIYRYKYKVMHQIRACKDLKHIIYYKFNKNL
GKGPGCGFWQPAWRVWLNFLRGTIPLLERYIGNLITRQFEGRSNEIVKTT
TKQRLDAYYDLELRNSVMDDILEMMPESIRQKKARTILQHLSEAWRCWKA
NIPWDVPGMPAPIKKIIERYIKSKADAWVSAAHYNRERIKRGAHVEKTMV
KKNLGRLTRLWIKNEQERQRQIQKNGPEITPEEATTIFSVMVEWLESRSF
SPIPFPPLTYKNDTKILVLALEDLKDVYASKVRLNASEREELALIEEAYD
NPHDTLNRIKKYLLTQRVFKPVDITMMENYQNISPVYSVDPLEKITDAYL
DQYLWYEADQRKLFPNWIKPSDSEIPPLLVYKWTQGINNLSEIWDVSRGQ
SAVLLETTLGEMAEKIDFTLLNRLLRLIVDPNIADYITAKNNVVINFKDM
SHVNKYGLIRGLKFASFIFQYYGLVIDLLLLGQERATDLAGPANNPNEFM
QFKSKEVEKAHPIRLYTRYLDRIYMLFHFEEDEGEELTDEYLAENPDPNF
ENSIGYNNRKCWPKDSRMRLIRQDVNLGRAVFWEIQSRVPTSLTSIKWEN
AFVSVYSKNNPNLLFSMCGFEVRILPRQRMEEVVSNDEGVWDLVDERTKQ
RTAKAYLKVSEEEIKKFDSRIRGILMASGSTTFTKVAAKWNTSLISLFTY
FREAIVATEPLLDILVKGETRIQNRVKLGLNSKMPTRFPPAVFYTPKELG
GLGMISASHILIPASDLSWSKQTDTGITHFRAGMTHEDEKLIPTIFRYIT
TWENEFLDSQRVWAEYATKRQEAIQQNRRLAFEELEGSWDRGIPRISTLF
QRDRHTLAYDRGHRIRREFKQYSLERNSPFWWTNSHHDGKLWNLNAYRTD
VIQALGGIETILEHTLFKGTGFNSWEGLFWEKASGFEDSMQFKKLTHAQR
TGLSQIPNRRFTLWWSPTINRANVYVGFLVQLDLTGIFLHGKIPTLKISL
IQIFRAHLWQKIHESIVFDICQILDGELDVLQIESVTKETVHPRKSYKMN
SSAADITMESVHEWEVSKPSLLHETNDSFKGLITNKMWFDVQLRYGDYDS
HDISRYVRAKFLDYTTDNVSMYPSPTGVMIGIDLAYNMYDAYGNWFNGLK
PLIQNSMRTIMKANPALYVLRERIRKGLQIYQSSVQEPFLNSSNYAELFN
NDIKLFVDDTNVYRVTVHKTFEGNVATKAINGCIFTLNPKTGHLFLKIIH
TSVWAGQKRLSQLAKWKTAEEVSALVRSLPKEEQPKQIIVTRKAMLDPLE
VHMLDFPNIAIRPTELRLPFSAAMSIDKLSDVVMKATEPQMVLFNIYDDW
LDRISSYTAFSRLTLLLRALKTNEESAKMILLSDPTITIKSYHLWPSFTD
EQWITIESQMRDLILTEYGRKYNVNISALTQTEIKDIILGKNEWRKSAIA
NTLLYLRLKNIYVSADDFVEEQNVYVLPKNLLKKFIEISDVKIQVAAFIY
GMSAKDHPKVKEIKTVVLVPQLGHVGSVQISNIPDIGDLPDTEGLELLGW
IHTQTEELKFMAASEVATHSKLFADKKRDCIDISIFSTPGSVSLSAYNLT
DEGYQWGEENKDIMNVLSEGFEPTFSTHAQLLLSDRITGNFIIPSGNVWN
YTFMGTAFNQEGDYNFKYGIPLEFYNEMHRPVHFLQFSELAGDEELEAEQ
IDVFS
Ligand information
Ligand IDIHP
InChIInChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-
InChIKeyIMQLKJBTEOYOSI-GPIVLXJGSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
CACTVS 3.385O[P](O)(=O)O[C@@H]1[C@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O
FormulaC6 H18 O24 P6
NameINOSITOL HEXAKISPHOSPHATE;
MYO-INOSITOL HEXAKISPHOSPHATE;
INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE
ChEMBLCHEMBL1233511
DrugBankDB14981
ZINCZINC000169289809
PDB chain7dco Chain A Residue 3000 [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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PDB7dco Mechanism of spliceosome remodeling by the ATPase/helicase Prp2 and its coactivator Spp2.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R236 K517 H659 K681 K684 H685 Y688 K697
Binding residue
(residue number reindexed from 1)		R110 K372 H514 K536 K539 H540 Y543 K552
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 29 08:21:48 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 = '7dco', asym_id = 'A', bs = 'BS06', title = 'Mechanism of spliceosome remodeling by the ATPase/helicase Prp2 and its coactivator Spp2.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7dco', asym_id='A', bs='BS06', title='Mechanism of spliceosome remodeling by the ATPase/helicase Prp2 and its coactivator Spp2.')
   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 = '0000398,0003723,0005681,0008233,0008237,0017070,0030623', uniprot = '', pdbid = '7dco', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0000398,0003723,0005681,0008233,0008237,0017070,0030623', uniprot='', pdbid='7dco', 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>