Structure of PDB 8i91 Chain B Binding Site BS01

Receptor Information
>8i91 Chain B (length=579) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPLWANSLQFVFACISYAVGLGNVWRFPYLCQMYGGGSFLVPYIIMLIVE
GMPLLYLELAVGQRMRQGSIGAWRTISPYLSGVGVASVVVSFFLSMYYNV
INAWAFWYLFHSFQDPLPWSVCPLNGNHTGYDEECEKASSTQYFWYRKTL
NISPSLQENGGVQWEPALCLLLAWLVVYLCILRGTESTGKVVYFTASLPY
CVLIIYLIRGLTLHGATNGLMYMFTPKIEQLANPKAWINAATQIFFSLGL
GFGSLIAFASYNEPSNNCQKHAIIVSLINSFTSIFASIVTFSIYGFKATF
NYENCLKKVSLLLTNTFDLEDGFLTASNLEQVKGYLASAYPSKYSEMFPQ
IKNCSLESELDTAVQGTGLAFIVYTEAIKNMEVSQLWSVLYFFMLLMLGI
GSMLGNTAAILTPLTDSKIISSHLPKEAISGLVCLVNCAIGMVFTMEAGN
YWFDIFNDYAATLSLLLIVLVETIAVCYVYGLRRFESDLKAMTGRAVSWY
WKVMWAGVSPLLIVSLFVFYLSDYILTGTLKYQAWDASQGQLVTKDYPAY
ALAVIGLLVASSTMCIPLAALGTFVQRRL
Ligand information
Ligand IDPRO
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyONIBWKKTOPOVIA-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C[C@H](NC1)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CCCN1
CACTVS 3.341OC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.5.0C1CC(NC1)C(=O)O
ACDLabs 10.04O=C(O)C1NCCC1
FormulaC5 H9 N O2
NamePROLINE
ChEMBLCHEMBL54922
DrugBankDB00172
ZINCZINC000000895360
PDB chain8i91 Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8i91 Structural insight into the substrate recognition and transport mechanism of amino acid transporter complex ACE2-B 0 AT1 and ACE2-SIT1.
Resolution3.3 Å
Binding residue
(original residue number in PDB)
Y21 G24 Y102 F250 S251 S406
Binding residue
(residue number reindexed from 1)
Y17 G20 Y98 F246 S247 S402
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005298 proline:sodium symporter activity
GO:0005515 protein binding
GO:0015171 amino acid transmembrane transporter activity
GO:0015175 neutral L-amino acid transmembrane transporter activity
GO:0015188 L-isoleucine transmembrane transporter activity
GO:0015193 L-proline transmembrane transporter activity
GO:0015199 amino-acid betaine transmembrane transporter activity
GO:0015293 symporter activity
GO:0015370 solute:sodium symporter activity
GO:0022857 transmembrane transporter activity
Biological Process
GO:0006865 amino acid transport
GO:0015816 glycine transport
GO:0015824 proline transport
GO:0015838 amino-acid betaine transport
GO:0035725 sodium ion transmembrane transport
GO:0089718 amino acid import across plasma membrane
GO:0150104 transport across blood-brain barrier
GO:1903804 glycine import across plasma membrane
GO:1903806 L-isoleucine import across plasma membrane
GO:1904271 L-proline import across plasma membrane
GO:1905647 proline import across plasma membrane
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0016324 apical plasma membrane

View graph for
Molecular Function

View graph for
Biological Process

View graph for
Cellular Component
External links
PDB RCSB:8i91, PDBe:8i91, PDBj:8i91
PDBsum8i91
PubMed37684251
UniProtQ9NP91|S6A20_HUMAN Sodium- and chloride-dependent transporter XTRP3 (Gene Name=SLC6A20)

[Back to BioLiP]