Structure of PDB 6d3r Chain A Binding Site BS01

Receptor Information
>6d3r Chain A (length=1127) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SADSADNLSEKLEREWDRELATSKKKPKLINALRRCFFWKFMFYGILLYL
GEVTKSVQPLLLGRIIASYDPDNSSERSIAYYLGIGLCLLFLVRTLLIHP
SIFGLHHIGMQIRIALFSLIYKKTLKLSSKVLDKISTGQLVSLLSNNLNK
FDEGLALAHFVWIAPLQVALLMGLLWDMLQASAFAGLAFLIVMAFFQAWL
GQMMMKYRDKRAGKINERLVITSEIIENIQSVKAYCWEDAMEKMIESLRE
TELKLTRKAAYVRYFNSSAFFFSGFFVVFLAVVPYAVTKGIILRKIFTTI
SFCIVLRMTVTRQFPGSVQTWYDSIGAINKIQDFLLKEEYKALEYNLTTT
GVEVDKVTAFWDEHASPVLQDINFKIEKGELLAVSGSTGSGKTSLLMLIM
GELEPSEGKIKHSGRISFSPQVSWIMPGTIKENIIFGVSYDEYRYKSVIQ
ACQLEEDILKFPDKDYTVLGEGGIILSGGQRARISLARAVYKDADLYLMD
SPFGYLDIFTEKEIFESCVCKLMANKTRILVTSKLEHLKIADKILILHEG
SCYFYGTFSELQGQRPDFSSELMGFDSFDQFSAERRNSIITETLRRFSFW
NTYFRYITIHKSLIFVLILCVTIFLLEVAASLVLLLFLYYMIYIYVGIAD
TLLAMGIFRGLPLVHTLITVSKTLHQKMVHAVLYAPMSTFNSLKAGGILN
RFSKDTAILDDLLPLTVFDLIQLILIVIGAITVVSILQPYIFLASVPVIA
AFIVLRAYFLHTSQQLKQLESEARSPIFTHLVTSLKGLWTLRAFGRQPYF
ETLFHKALNLHTANWFLYLSTLRWFQMRIEMIFVVFFSAVAFISIITTGD
GPGRVGIILTLAMNIMGTLQWAVNSSIDVDSLMRSVSRIFKFIDGGQMTV
TDLTARYTEGGTAVLENISFSISSGQTVGLLGRTGSGKSTLLFAFLRLLN
TEGDIQIDGVSWNTVSLQQWRKAFGVIPQKVFIFSGTFRKNLDPYGQWND
EEIWKVAEEVGLKSVIEQFPGQLDFVLVDGGCVLSHGHKQLMCLARSVLS
KAKILLLDEPSAHLDPITSQVIRKTLKHAFADCTVVLSESRLEAILECQR
FLVIEDNKMRQYESIQKLLSEKSSLRQ
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 chain6d3r Chain A Residue 1501 [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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PDB6d3r Cryo-EM Visualization of an Active High Open Probability CFTR Anion Channel.
Resolution4.3 Å
Binding residue
(original residue number in PDB)		D174 W402 G462 G464 K465 T466 S467
Binding residue
(residue number reindexed from 1)		D133 W361 G389 G391 K392 T393 S394
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Wed Dec 18 19:55:03 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 = '6d3r', asym_id = 'A', bs = 'BS01', title = 'Cryo-EM Visualization of an Active High Open Probability CFTR Anion Channel.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6d3r', asym_id='A', bs='BS01', title='Cryo-EM Visualization of an Active High Open Probability CFTR Anion Channel.')
   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 = '0005254,0005524,0006811,0016020,0016887,0055085,0140359', uniprot = '', pdbid = '6d3r', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005254,0005524,0006811,0016020,0016887,0055085,0140359', uniprot='', pdbid='6d3r', 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>