Structure of PDB 6d3s Chain A Binding Site BS01

Receptor Information
>6d3s 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 chain6d3s 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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PDB6d3s Cryo-EM Visualization of an Active High Open Probability CFTR Anion Channel.
Resolution6.6 Å
Binding residue
(original residue number in PDB)		W402 G462 G464 K465 T466 S467
Binding residue
(residue number reindexed from 1)		W361 G389 G391 K392 T393 S394
Annotation score1
Enzymatic activity
Enzyme Commision number 5.6.1.6: channel-conductance-controlling ATPase.
Gene Ontology
Molecular Function
GO:0005254 chloride channel activity
GO:0005260 intracellularly ATP-gated chloride channel activity
GO:0005524 ATP binding
GO:0015106 bicarbonate transmembrane transporter activity
GO:0015108 chloride transmembrane transporter activity
GO:0016853 isomerase activity
GO:0016887 ATP hydrolysis activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0006821 chloride transport
GO:0015701 bicarbonate transport
GO:0034220 monoatomic ion transmembrane transport
GO:0055085 transmembrane transport
GO:1902476 chloride transmembrane transport
Cellular Component
GO:0005768 endosome
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0016324 apical plasma membrane
GO:0031901 early endosome membrane
GO:0034707 chloride channel complex
GO:0055038 recycling endosome membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6d3s, PDBe:6d3s, PDBj:6d3s
PDBsum6d3s
PubMed30281975
UniProtA0M8U4

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