Structure of PDB 8sak Chain A Binding Site BS01

Receptor Information
>8sak Chain A (length=1121) Species: 2664183 (unclassified Merbecovirus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVDSGPPSSATSCKEADMRNSSSEFFNKQWPMPINASKADGIIYPTGKSY
SNISLTLQGLFPKHGDLGEQYIYSVLGKLFVSDYATKVVPFNNGFVVRIG
KIYPAFMLGSSVGNFSNGVSGRYFNHTLLLLPDGCGTRLWALYCVIEPRN
GSYCPGNSNYNTFAVFDTNTNATLNSFKEYFDLQNCSFIYSFNIEWFGIT
QNTQGVHLYSSRKGDLYGSNMFLFATLPVYDGIKYYTVIPRSIWAAFYIY
SLHKLTYLLDFSVDGYIRRAVDCGHDDLSQLYCSYESFDVGSGVYSVSSF
EVHSRGQFIEQPNSVECDFTKLLSGTPPQVYNFNRLVFTNCNYNLTKLLS
LFMVNEFSCDGISPDAIARGCYSSLTVDYFAYPLSMKSYMQPGSAGVISQ
YNYKQSFANPTCRIFATAPANLTITKPSSYSFISKCSRLTGDNSHIETPI
VINPGEYSICKNFAPNGFSQDGDYFTRQLSQLEGGGILVGVGSVTPMTDT
LQMGFIISVQYGTDTNSVCPMMDLGNSTTITDKLGVCVEYNLYGVSGRGV
FINCTAVGVKQQRFVYDGFDNLIGYYSDDGNYYCVRPCVSVPLSVVYDKT
TNSHATIFGSVACEHITTMLHGPLQTAVGCVIGLVNSSMVVDNCQLPLGQ
SLCAVPSSQLQLATINYTQPQLLSPLNSSGFVVQVPTNFSFGITQEYIQT
TIQKVTVDCKQYVCNGFQKCEQLLREYGQFCAKINQALHGANLMQDESVA
NLFSDIKTHKSQPLNAGLNGDFNLTLLQVPQVSTSQYSHRSPIEDLLFNK
VTIADPGYMQGYDDCMKQGPPSARDLICAQYVAGYKVLPPLYDPNMEGAY
TSSLLGSIAGAGWTAGLSSFAAIPFAQSIFYRMNGIGITQQVLSENQKLI
ANKFNQALGAMQTGFTTTNLAFSKVQDAVNANAQALSKLASELSNTFGAI
SSSISDILKRLDPPEQEAQIDRLINGRLTSLNAFVAQQLVRSETAARSAQ
LASDKVNECVKSQSKRNGFCGSGTHIVSFVINAPNGFYFFHVGYVPTNHV
NVTAAYGLCNTDTPPRCIAPIDGYFVLNDQWYYTGSSFFNPEPITMANAR
YVSQDVKFENLTNQLPPPLLN
Ligand information
Ligand IDFUC
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
InChIKeySHZGCJCMOBCMKK-SXUWKVJYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)C
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
CACTVS 3.341C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
FormulaC6 H12 O5
Namealpha-L-fucopyranose;
alpha-L-fucose;
6-deoxy-alpha-L-galactopyranose;
L-fucose;
fucose
ChEMBLCHEMBL1232862
DrugBankDB04473
ZINCZINC000001532814
PDB chain8sak Chain Q Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8sak A MERS-CoV antibody neutralizes a pre-emerging group 2c bat coronavirus.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		C624 T625
Binding residue
(residue number reindexed from 1)		C554 T555
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
Biological Process
GO:0019062 virion attachment to host cell
GO:0019064 fusion of virus membrane with host plasma membrane
GO:0039654 fusion of virus membrane with host endosome membrane
GO:0046718 symbiont entry into host cell
GO:0046813 receptor-mediated virion attachment to host cell
GO:0075509 endocytosis involved in viral entry into host cell
Cellular Component
GO:0016020 membrane
GO:0019031 viral envelope
GO:0020002 host cell plasma membrane
GO:0044173 host cell endoplasmic reticulum-Golgi intermediate compartment membrane
GO:0055036 virion membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8sak, PDBe:8sak, PDBj:8sak
PDBsum8sak
PubMed37756379
UniProtA0A2R4KP93

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