Structure of PDB 8i93 Chain B Binding Site BS01

Receptor Information
>8i93 Chain B (length=605) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLPNPGLDARIPSLAELETIEQEEASSRPKWDNKAQYMLTCLGFCVGLGN
VWRFPYLCQSHGGGAFMIPFLILLVLEGIPLLYLEFAIGQRLRRGSLGVW
SSIHPALKGLGLASMLTSFMVGLYYNTIISWIMWYLFNSFQEPLPWSDCP
LNENQTGYVDECARSSPVDYFWYRETLNISTSISDSGSIQWWMLLCLACA
WSVLYMCTIRGIETTGKAVYITSTLPYVVLTIFLIRGLTLKGATNGIVFL
FTPNVTELAQPDTWLDAGAQVFFSFSLAFGGLISFSSYNSVHNNCEKDSV
IVSIINGFTSVYVAIVVYSVIGFRATQRYDDCFSTNILTLINGFDLPEGN
VTQENFVDMQQRCNASDPAAYAQLVFQTCDINAFLSEAVEGTGLAFIVFT
EAITKMPLSPLWSVLFFIMLFCLGLSSMFGNMEGVVVPLQDLRVIPPKWP
KEVLTGLICLGTFLIGFIFTLNSGQYWLSLLDSYAGSIPLLIIAFCEMFS
VVYVYGVDRFNKDIEFMIGHKPNIFWQVTWRVVSPLLMLIIFLFFFVVEV
SQELTYSIWDPGYEEFPKSQKISYPNWVYVVVVIVAGVPSLTIPGYAIYK
LIRNH
Ligand information
Ligand IDMET
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyFFEARJCKVFRZRR-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CSCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCCC(C(=O)O)N
CACTVS 3.341CSCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCSC
FormulaC5 H11 N O2 S
NameMETHIONINE
ChEMBLCHEMBL42336
DrugBankDB00134
ZINCZINC000001532529
PDB chain8i93 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

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PDB8i93 Structural insight into the substrate recognition and transport mechanism of amino acid transporter complex ACE2-B 0 AT1 and ACE2-SIT1.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		G51 Y129 F277 S431 N435
Binding residue
(residue number reindexed from 1)		G47 Y125 F273 S427 N431
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0015171 amino acid transmembrane transporter activity
GO:0015175 neutral L-amino acid transmembrane transporter activity
GO:0015293 symporter activity
GO:0022857 transmembrane transporter activity
Biological Process
GO:0003333 amino acid transmembrane transport
GO:0006865 amino acid transport
GO:0007584 response to nutrient
GO:0015804 neutral amino acid transport
GO:0019058 viral life cycle
GO:0035725 sodium ion transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0016324 apical plasma membrane
GO:0031526 brush border membrane
GO:0070062 extracellular exosome

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8i93, PDBe:8i93, PDBj:8i93
PDBsum8i93
PubMed37684251
UniProtQ695T7|S6A19_HUMAN Sodium-dependent neutral amino acid transporter B(0)AT1 (Gene Name=SLC6A19)

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