Structure of PDB 8p30 Chain D Binding Site BS01

Receptor Information
>8p30 Chain D (length=573) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSLQFVFACISYAVGLGNVWRFPYLCQMYGGGSFLVPYIIMLIVEGMPLL
YLELAVGQRMRQGSIGAWRTISPYLSGVGVASVVVSFFLSMYYNVINAWA
FWYLFHSFQDPLPWSVCPLNGNHTGYDEECEKASSTQYFWYRKTLNISPS
LQENGGVQWEPALCLLLAWLVVYLCILRGTESTGKVVYFTASLPYCVLII
YLIRGLTLHGATNGLMYMFTPKIEQLANPKAWINAATQIFFSLGLGFGSL
IAFASYNEPSNNCQKHAIIVSLINSFTSIFASIVTFSIYGFKATFNYENC
LKKVSLLLTNTFDLEDGFLTASNLEQVKGYLASAYPSKYSEMFPQIKNCS
LESELDTAVQGTGLAFIVYTEAIKNMEVSQLWSVLYFFMLLMLGIGSMLG
NTAAILTPLTDSKIISSHLPKEAISGLVCLVNCAIGMVFTMEAGNYWFDI
FNDYAATLSLLLIVLVETIAVCYVYGLRRFESDLKAMTGRAVSWYWKVMW
AGVSPLLIVSLFVFYLSDYILTGTLKYQAWDASQGQLVTKDYPAYALAVI
GLLVASSTMCIPLAALGTFVQRR
Ligand information
Ligand IDYCP
InChIInChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
InChIKeyHXEACLLIILLPRG-YFKPBYRVSA-N
SMILES
SoftwareSMILES
CACTVS 3.352OC(=O)[C@@H]1CCCCN1
OpenEye OEToolkits 1.7.0C1CCNC(C1)C(=O)O
OpenEye OEToolkits 1.7.0C1CCN[C@@H](C1)C(=O)O
CACTVS 3.352OC(=O)[CH]1CCCCN1
FormulaC6 H11 N O2
Name(2S)-piperidine-2-carboxylic acid
ChEMBLCHEMBL322883
DrugBank
ZINCZINC000000157015
PDB chain8p30 Chain D Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8p30 Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2
Resolution3.29 Å
Binding residue
(original residue number in PDB)		Y21 A22 G24 L25 G26 Y102 F250 F256
Binding residue
(residue number reindexed from 1)		Y12 A13 G15 L16 G17 Y93 F241 F247
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:0016324 apical plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8p30, PDBe:8p30, PDBj:8p30
PDBsum8p30
PubMed38951531
UniProtQ9NP91|S6A20_HUMAN Sodium- and chloride-dependent transporter XTRP3 (Gene Name=SLC6A20)

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