Structure of PDB 2xyv Chain A Binding Site BS01
Receptor Information
>2xyv Chain A (length=285) [
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SQAWQPGVAMPNLYKMQRMLLEKCDLQNYGENAVIPKGIMMNVAKYTQLC
QYLNTLTLAVPYNMRVIHFGAGSDKGVAPGTAVLRQWLPTGTLLVDSDLN
DFVSDADSTLIGDCATVHTANKWDLIISDMYDPKENDSKEGFFTYLCGFI
KQKLALGGSIAVKITEHSWNADLYKLMGHFSWWTAFVTNVNASSSEAFLI
GANYLGKPKEQIDGYTMHANYIFWRNTNPIQLSSYSLFDMSKFPLKLRGT
AVMSLKENQINDMIYSLLEKGRLIIRENNRVVVSS
Ligand information
Ligand ID
SAH
InChI
InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKey
ZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
Software
SMILES
CACTVS 3.341
N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04
O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
Formula
C14 H20 N6 O5 S
Name
S-ADENOSYL-L-HOMOCYSTEINE
ChEMBL
CHEMBL418052
DrugBank
DB01752
ZINC
ZINC000004228232
PDB chain
2xyv Chain A Residue 1300 [
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Receptor-Ligand Complex Structure
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PDB
2xyv
Crystal Structure and Functional Analysis of the Sars-Coronavirus RNA CAP 2'-O-Methyltransferase Nsp10/Nsp16 Complex.
Resolution
2.06 Å
Binding residue
(original residue number in PDB)
N43 G71 G73 P80 D99 L100 C115 D130 M131 Y132 F149
Binding residue
(residue number reindexed from 1)
N42 G70 G72 P79 D98 L99 C114 D129 M130 Y131 F142
Annotation score
5
Enzymatic activity
Enzyme Commision number
2.1.1.-
2.1.1.56
: mRNA (guanine-N(7))-methyltransferase.
2.1.1.57
: methyltransferase cap1.
2.7.7.48
: RNA-directed RNA polymerase.
2.7.7.50
: mRNA guanylyltransferase.
3.1.13.-
3.4.19.12
: ubiquitinyl hydrolase 1.
3.4.22.-
3.4.22.69
: SARS coronavirus main proteinase.
3.6.4.12
: DNA helicase.
3.6.4.13
: RNA helicase.
4.6.1.-
Gene Ontology
Molecular Function
GO:0004483
mRNA (nucleoside-2'-O-)-methyltransferase activity
View graph for
Molecular Function
External links
PDB
RCSB:2xyv
,
PDBe:2xyv
,
PDBj:2xyv
PDBsum
2xyv
PubMed
21637813
UniProt
P0C6X7
|R1AB_SARS Replicase polyprotein 1ab (Gene Name=rep)
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