Structure of PDB 7k5b Chain C Binding Site BS01

Receptor Information
>7k5b Chain C (length=3947) Species: 5911 (Tetrahymena thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLVWTQLKQTGTTQPTARSGHTIITVGKTHIMFGGLDNDKNNYKDGKIAP
NNQVFTLKLTQNNCEWRQIACQGDVPLPRCYHASCAISADKMLVFGGSYT
SNLRFNDTYILKTTSYQWSKPANQISGGEPKNAESKIGAPQPRYGHSATF
FEGKVYIFGGHGGINYQRLAFNDLYVLETENFEWTRLEPKGNPPDPRGGH
SAAMMANKPQLMIFGGWSFTSQYSNIMIYDIEKDEWVDPEIAHEIPKWNL
SGIMAPSIPSWKYFIFGGSVGSFEEGGNRTNSRFVDDSFVLDIDTLSWSS
INLEADETSKAVCKPRPRESASIFYDSGESRAIVFGGWANNWLNDLWALN
VSTITGPPIFSIKPALGPLTGKTKVLIEGDGFKDTQNISVKFSGGKLEKE
VNGTFVNEKEISCETPTFDYPRSVEVTVCMNKGDYTITKSAFTYNTKADK
TIAYGPGLLTENLIGVQTTIVIQARNGSDEFVVTIRNPAKIKKEEEVKEG
DKANTKNTIKEDEEEEGEDEEENKKKKEAEKNDLTGSAVMNYISKQLKDI
QEFIENTKENIEIRNKNISELINVMINLEKVRVKNDDDVLTLDTVEEMLN
FLKKKKDSDIKKCKKLQEEWKNLAKMAQAVKKDIQNPVKTESDKTKENIK
KFEEITLKEYANSLKKESFFIYKTGVSESFKRIGEVKQKVDEFEVQLNQY
EDFARIGSKKLMEQIRTDVSSVEKLWVRIEISEKTMDEYKKMKWGSINSM
DMEDEIKKLRKALTDLRGIDKRSNAFIGITEELKKWATFLPLLGELKDPS
MNSEDGRHWKKLKDLVKKEFDVSQELMLEIIWDLKLFDYKDGIEEITDQA
KQELKMEKALKKIIDFWRDIEFELVQHKNTDIHTLKMSEENFETLEDHQL
QINNMLLSKYVAYFEKEVEKWKYDLGSVYDVVQLLLEVQKTWSFLENLFE
VKRELPNESAQFVGIDKDMKEIMQKGCDIKNCLKFCTIEGMLKRLENIQA
QLKVCEKALNEFLDSKRRAFPRFYFVSVNDLLDILSNGNSPAKINRHMSK
IFQAIDNLQLKEDSSGGRPTLKMISCVGTEEVDFSSPRLLQGKVESYLKD
VIDTMIGTLKSVANSSFKNFQSMTRKEWLKSDPSQITLLVNNIIWSKAVE
DCFLKLQSGDINAMKLFLDESIKQLTELIGMVQGDLSKPLRQKIMCLITI
DTHSRDVVHRLINEHVRKAEEFQWQSQLKFYWVDNDAKIKIADARFVYNY
EYLGNGPRLVITPLTDRIYVTATQALHLKMGCAPAGPAGTGKTETTKDLA
NALAKACYVFNCSSEMNYESMGNIYKGLASSGCWGCFDEFNRLLPEVLSV
CSVQFKAVTDAIKQNVERFIIEGDEISLDPTCGVFITMNPGYLGRAELPE
GLKALFRPITVVVPDLELICENMLMAEGFIEAKILAKKFVTLYMLCRDLL
SKQLHYDWGLRAIKSVLVVAGGFKRSEPEIAEQALLMRALRDFNIPKIAF
QDLYVFHGLLGDLFPGINIKPKKDLDFEKIITDVCIENKLDPDPEFVLKV
VQLSELLAIRHCVFVMGPPGAGKSTTWKILAKAQDKTNKKTTLIDIDPKV
VSTKDFYGYNLPSKEWKDGLFSKMLRSLAEQPDTNPKWICLDGDLDANWI
ESMNSVMDDNKILTLANNERIPLKPHMRALFEIRDLRFATPATVSRAGIL
YISDEVGYQWRSYVKSWIKQEFSQDQEMSKNLDTLFGKYVPDTLDHIKKH
CRFLVPVSPISQVISICKSLQTLLKGDVKNLEYLFVYALIWAIGGALAEK
DSIDYRKDFSTWWKGAWKTAVKFPSKGTIFDYYVDQSGDSSKFVEWSKRL
ENKEFDPQVETMGNITVNTIETLATTEFIKSYLMVKHPSLLIGNSGCGKT
QLAKGILKEIVQAKPENYAYQLINFNYYTDSTYLQGQIEQTLEKKAGRQY
GPPGKVQLIYFIDDLNMPQLDAYDTQTAIALLRQLADYGHFYDVSKLALK
DIINTQVLAAMNPSAGSFFVNPRYQRHFWTISIPFPDNESLSLIYITFLN
GHLKRFKSTIQEYSNIIVRASLMLHQAVTQNFRKTAINFHYEFNLRHMSN
VFQGLLLSDPNKFTEPDKLIKLWIHECERTYGDRLVSTDNLKTYKENIFD
IVKKSFSKFNFSRYFGNNPENLIYCNFIAGINSDRFYDQMPNNEMEKHIS
EALKEYNDNNAFMGLVLFEDAMKHVCRICRIVLPSSGHALLVGVGGSGKQ
SLSKLASFIMGYTTFSITISATYSMVDLRNDLQQLYFKCGPKEEGILFLF
TEGQITNERFLVYINDLLSSGEIAELYTLDEKEAMINQVRAKVKGEGKPD
TRENCWNWFIDQVKKNLHMAICFSPVGDMRRRARQFPALVNCTVIDWFQP
WPYEALFNVAKSFLEPVDLGDDKVREAVVKFMPFSFTLVNDLGLKLLEQE
RRYAYTTPKSFLELISLFTNMLAQKRESLERNKERYETGLVKLKETAEQV
AIIEVEVKEKQVEAEAKKKEADAFAEVVGREKDKVEKENSKATIEADKCG
LIKQNVEAQKSSTQQDLDAAQPLVEQAKSALNSISKKDFQQAKSFASPPA
GVPEVFAATIYLLAGYFNEAIEIDKNKKPKDVSWKSSLKLMKSPEEFMEK
LLNFKDVVDANQVANVNIVKNQYLNMPSFTPEQMASKSAAAKGICSWVVN
IVKYYDVIQDVEPKRKALKEATEQLEEATVKLNEVEEVVRKLNEELNKLK
AENDKAIAERNAAISEAERCARRLNLAQRLVTALSSENERWGKSIIQLED
QLKLMVGDVLVASSFVSYSGPFNKKFRNIMINQNFMKFMKEHTIPMSPDP
NPIKILTDESTIALWNKQKLPSDSVSIENGTILTNSARYPLMIDPQLQGI
TWIREKEKANNLKILRLGSKNINRDLELSIENGYSAIIENMNERIDAILM
PIIARSFIKRGKNKIIKFAGKDLILHPNFKLFLHTKLSNPHYPPEIQAEA
ALINFTVTEAGLGDQLLSLVVARERPDLAKMKIELITQQNDFKIKLKDLE
DELLYKLANAKGDILDDIELIENLEYSKKLSVEIAEKVAAAKITEAKINE
TSENYRPAASRGALFYFLLSDLSKVHSFYKYSLESFIVVINRAIDAISEN
KIYGKTTMMSPRSLKKRVDELIESLTYTAYQTTRRGLFESHKLIVAAMLC
LRVLLRSEELNSDEVDHLIIGKVDVNPTPMPDALKSFLNDNIWAACKALE
TIHQFQGFCQSLETDVLQWKKWYSEEKAETADLPKAFKELSKFHRLLLLR
ALRPDRLPSALSQFVHDKMGERYIEQPPFNIFETFQETSKTVPIFFVLFP
GVDPTPDVERVAATFDVSANNGRFINISMGQGQEDRAKKALFDCAQKGHW
IMLQNVHLMQSWLYGLNGLEGFLESVFASPKTHPNFRVFISSEPPNVLLP
LMQIIPESILQGSLKIANEAPQYLKANLRRAYNKFDQEFLDKCDKKPTEF
KSCLFALCFFHSLMLGRKKFGTQGWSRVYNFNDGDLTICADVLYNYLSKY
DQVPWDDLRYIFGEIMYGGHITDDWDRRTNRTYLKVLIRSELLQQNFNLA
PQFKSPDPSKFDYEAYRKYIEEKLPIESPQMFGMHPNAEIGYLTQTCDQV
FNTILEVQGGSSGGGASKKDDGVMVTLTDFKTRCPHDFNMLLIEEKVKEK
TPYIVVCLQECERMNGLLKEIKTSLEDLRLGLTGALNMTDAMESLQQSLS
FNKVPDTWEKKAYFSKKPLSSWFADLIERNIQLQEWCKELVTPTSLCISY
LFNPMSYLTAIMQFTARAQGLPLDGITIQTNVTAMKGPEDVVNPAENGAY
IHGLFLEGAAWEIGGQGQDGYLIEQKPKELHPKMPVINAVAVPLDKKKKN
GQYDCPTYVTSARGQTFVFTANLNMESDDSDPNKWILSGTCMLMSDD
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain7k5b Chain C Residue 4201 [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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PDB7k5b Structures of outer-arm dynein array on microtubule doublet reveal a motor coordination mechanism.
Resolution4.5 Å
Binding residue
(original residue number in PDB)		L1657 D1658 F1663 G1687 A1688 G1689 K1690 S1691 T1692 Y1830 R2140 R2143
Binding residue
(residue number reindexed from 1)		L1540 D1541 F1546 G1570 A1571 G1572 K1573 S1574 T1575 Y1713 R2023 R2026
Annotation score5
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Nov 28 05:44:52 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 = '7k5b', asym_id = 'C', bs = 'BS01', title = 'Structures of outer-arm dynein array on microtubule doublet reveal a motor coordination mechanism.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7k5b', asym_id='C', bs='BS01', title='Structures of outer-arm dynein array on microtubule doublet reveal a motor coordination mechanism.')
   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 = '0005524,0007018,0008569,0016887,0030286,0045505,0051959', uniprot = '', pdbid = '7k5b', asym_id = 'C'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005524,0007018,0008569,0016887,0030286,0045505,0051959', uniprot='', pdbid='7k5b', asym_id='C')
    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>