Structure of PDB 7ehl Chain B Binding Site BS04

Receptor Information
>7ehl Chain B (length=563) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FNWKLFWQFLHPHLLVLGVAVVLALGAALVNVQIPLLLGQLVEVVAKYTR
DMTESQNLSTHLLILYGVQGLLTFGYLVLLSHVGERMAVDMRRALFSSLL
RQDITFFDANKTGQLVSRLTTDVQEFKSSFKLVISQGLRSCTQVAGCLVS
LSMLTRLTLLLMVATPALMGVGTLMGSGLRKLSRQCQEQIARAMGVADEA
LGNVRTVRAFAMEQREEERYGAELEACRCRAEELGRGIALFQGLSNIAFN
CMVLGTLFIGGSLVAGQLTGGDLMSFLVASQTVQRSMANLSVLFGQVVRG
LSAGARVFEYMALNPCIPLSGRGSVTFQNVCFSYPCRPGFEVLKDFTLTL
PPGKIVALVGQSGGGKTTVASLLERFYDPTAGVVMLDGRDLRTLDPSWLR
GQVVGFISQEPVLFGTTIMENIRFGKLEASDEEVYTAAREANAHEFITSF
PEGYNTVGERGTTLSGGQKQRLAIARALIKQPTVLILDEATSALDAESER
VVQEALDRASAGRTVLVIAHRLSTVRGAHCIVVMADGRVWEAGTHEELLK
KGGLYAELIRRQA
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain7ehl Chain B Residue 1003 [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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PDB7ehl Cryo-EM structure of human ABCB8 transporter in nucleotide binding state.
ResolutionN/A
Binding residue
(original residue number in PDB)		Y481 G512 K513 T514 T515
Binding residue
(residue number reindexed from 1)		Y334 G365 K366 T367 T368
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0015440 ABC-type peptide transporter activity
GO:0016887 ATP hydrolysis activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0006813 potassium ion transport
GO:0006884 cell volume homeostasis
GO:0015833 peptide transport
GO:0055085 transmembrane transport
GO:0071805 potassium ion transmembrane transport
GO:0140141 mitochondrial potassium ion transmembrane transport
Cellular Component
GO:0005654 nucleoplasm
GO:0005730 nucleolus
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0016020 membrane
GO:0031966 mitochondrial membrane
GO:0043190 ATP-binding cassette (ABC) transporter complex
GO:0062157 mitochondrial ATP-gated potassium channel complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7ehl, PDBe:7ehl, PDBj:7ehl
PDBsum7ehl
PubMed33872987
UniProtQ9NUT2|MITOS_HUMAN Mitochondrial potassium channel ATP-binding subunit (Gene Name=ABCB8)

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