Structure of PDB 2zwv Chain A Binding Site BS01

Receptor Information
>2zwv Chain A (length=373) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLTREAYHRLTPLPHPGGRLFIKPGARGYRDPVHDLLQKTVEPFGERALD
LNPGVGWGSLPLEGRMAVERLETSRAAFRCLTASGLQARLALPWEAAAGA
YDLVVLALPAGRGTAYVQASLVAAARALRMGGRLYLAGDKNKGFERYFKE
ARALLGYGVVVRREGPYRVALLEKEKEAPPLPSLWRAFSARILGAEYTFH
HLPGVFSAGKVDPASLLLLEALQERLGPEGVRGRQVLDLGAGYGALTLPL
ARMGAEVVGVEDDLASVLSLQKGLEANALKAQALHSDVDEALTEEARFDI
IVTNPPFHVGGAVILDVAQAFVNVAAARLRPGGVFFLVSNPFLKYEPLLE
EKFGAFQTLKVAEYKVLFAEKRG
Ligand information
Ligand IDSAH
InChIInChI=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
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
FormulaC14 H20 N6 O5 S
NameS-ADENOSYL-L-HOMOCYSTEINE
ChEMBLCHEMBL418052
DrugBankDB01752
ZINCZINC000004228232
PDB chain2zwv Chain A Residue 376 [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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PDB2zwv Crystal structure of Thermus thermophilus 16S rRNA methyltransferase RsmC (TTHA0533)
Resolution2.0 Å
Binding residue
(original residue number in PDB)		F207 S216 G241 A242 A246 E262 D263 S287 V289 N305 V318 F322
Binding residue
(residue number reindexed from 1)		F206 S215 G240 A241 A245 E261 D262 S286 V288 N304 V317 F321
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000179 rRNA (adenine-N6,N6-)-dimethyltransferase activity
GO:0003676 nucleic acid binding
GO:0008168 methyltransferase activity
GO:0008170 N-methyltransferase activity
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
Biological Process
GO:0000154 rRNA modification
GO:0008033 tRNA processing
GO:0031167 rRNA methylation
GO:0032259 methylation
GO:0043414 macromolecule methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2zwv, PDBe:2zwv, PDBj:2zwv
PDBsum2zwv
PubMed
UniProtQ5SKW0

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