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Receptor Information

>8j74 Chain B (length=515) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

FHVEGLIAIIVFYLLILLVGIWAAWRTKNSGSAEERSEAIIVGGRDIGLL
VGGFTMTATWVGGGYINGTAEAVYVPGYGLAWAQAPIGYSLSLILGGLFF
AKPMRSKGYVTMLDPFQQIYGKRMGGLLFIPALMGEMFWAAAIFSALGAT
ISVIIDVDMHISVIISALIATLYTLVGGLYSVAYTDVVQLFCIFVGLWIS
VPFALSHPAVADIGFTAVHAKYQKPWLGTVDSSEVYSWLDSFLLLMLGGI
PWQAYFQRVLSSSSATYAQVLSFLAAFGCLVMAIPAILIGAIGASTDWNQ
TAYGLPDPKTTEEADMILPIVLQYLCPVYISFFGLGAVSAAVMSSADSSI
LSASSMFARNIYQLSFRQNASDKEIVWVMRITVFVFGASATAMALLTKTV
YGLWYLSSDLVYIVIFPQLLCVLFVKGTNTYGAVAGYVSGLFLRITGGEP
YLYLQPLIFYPGYYPDDNGIYNQKFPFKTLAMVTSFLTNICISYLAKYLF
ESGTLPPKLDVFDAV

Ligand ID

AV0

InChI

InChI=1S/C47H88O22/c1-3-5-7-9-11-13-15-17-19-47(20-18-16-14-12-10-8-6-4-2,25-62-43-39(60)35(56)41(29(23-50)66-43)68-45-37(58)33(54)31(52)27(21-48)64-45)26-63-44-40(61)36(57)42(30(24-51)67-44)69-46-38(59)34(55)32(53)28(22-49)65-46/h27-46,48-61H,3-26H2,1-2H3/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m1/s1

InChIKey

MADJBYLAYPCCOO-VWHTXWAPSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.6	CCCCCCCCCCC(CCCCCCCCCC)(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
ACDLabs 12.01	C2(C(C(O)C(OC1OC(CO)C(O)C(O)C1O)C(CO)O2)O)OCC(CCCCCCCCCC)(CCCCCCCCCC)COC4OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O
CACTVS 3.385	CCCCCCCCCCC(CCCCCCCCCC)(CO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)CO[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
CACTVS 3.385	CCCCCCCCCCC(CCCCCCCCCC)(CO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O)CO[CH]3O[CH](CO)[CH](O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O
OpenEye OEToolkits 2.0.6	CCCCCCCCCCC(CCCCCCCCCC)(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)COC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O

Formula

C47 H88 O22

Name

Lauryl Maltose Neopentyl Glycol;
2,2-didecylpropane-1,3-bis-b-D-maltopyranoside;
2-decyl-2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}dodecyl4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside

ChEMBL

DrugBank

ZINC

PDB chain

8j74 Chain A Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8j74 Transport mechanism of presynaptic high-affinity choline uptake by human CHT1
Resolution	3.6 Å
Binding residue (original residue number in PDB)	I215 G216 F217 H221
Binding residue (residue number reindexed from 1)	I213 G214 F215 H219
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0005307	choline:sodium symporter activity
GO:0015220	choline transmembrane transporter activity
GO:0015293	symporter activity
GO:0022857	transmembrane transporter activity
GO:0033265	choline binding

	Biological Process
GO:0001701	in utero embryonic development
GO:0006814	sodium ion transport
GO:0006836	neurotransmitter transport
GO:0007271	synaptic transmission, cholinergic
GO:0007274	neuromuscular synaptic transmission
GO:0008292	acetylcholine biosynthetic process
GO:0015871	choline transport
GO:0055085	transmembrane transport

	Cellular Component
GO:0005768	endosome
GO:0005886	plasma membrane
GO:0016020	membrane
GO:0030424	axon
GO:0030425	dendrite
GO:0030672	synaptic vesicle membrane
GO:0031594	neuromuscular junction
GO:0031901	early endosome membrane
GO:0042734	presynaptic membrane
GO:0042995	cell projection
GO:0043025	neuronal cell body
GO:0043204	perikaryon
GO:0045202	synapse

PDB	RCSB:8j74, PDBe:8j74, PDBj:8j74
PDBsum	8j74
PubMed	38589607
UniProt	Q9GZV3\|SC5A7_HUMAN High affinity choline transporter 1 (Gene Name=SLC5A7)

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Structure of PDB 8j74 Chain B Binding Site BS01