Structure of PDB 7dwx Chain A Binding Site BS01

Receptor Information
>7dwx Chain A (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 IDLEU
InChIInChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyROHFNLRQFUQHCH-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C[C@@H](C(=O)O)N
CACTVS 3.341CC(C)C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)CC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CC(C)C
CACTVS 3.341CC(C)C[CH](N)C(O)=O
FormulaC6 H13 N O2
NameLEUCINE
ChEMBLCHEMBL291962
DrugBankDB00149
ZINCZINC000003645145
PDB chain7dwx Chain A Residue 705 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7dwx Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2.
Resolution8.3 Å
Binding residue
(original residue number in PDB)		F48 C49 F277
Binding residue
(residue number reindexed from 1)		F44 C45 F273
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

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7dwx, PDBe:7dwx, PDBj:7dwx
PDBsum7dwx
PubMed33737693
UniProtQ695T7|S6A19_HUMAN Sodium-dependent neutral amino acid transporter B(0)AT1 (Gene Name=SLC6A19)

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