Structure of PDB 1svu Chain B Binding Site BS01

Receptor Information
>1svu Chain B (length=314) Species: 726 (Haemophilus haemolyticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIEIKDKQLTGLRFIDLFAGLGGFRLALESCGAECVYSNEWDKYAQEVYE
MNFGEKPEGDITQVNEKTIPDHDILCAGFPCQARGTLFFDIARIVREKKP
KVVFMENVKNFASHDNGNTLEVVKNTMNELDYSFHAKVLNALDYGIPQKR
ERIYMICFRNDLNIQNFQFPKPFELNTFVKDLLLPDSEVEHLVIDRKDLV
MTNQEIEQTTPKTVRLGIVGKGGWGERIYSTRGIAITLSAYGGGIFAKTG
GYLVNGKTRKLHPRECARVMGYPDSYKVHPSTSQAYKQFGNSVVINVLQY
IAYNIGSSLNFKPY
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 chain1svu Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1svu Structure of the Q237W mutant of HhaI DNA methyltransferase: an insight into protein-protein interactions
Resolution2.66 Å
Binding residue
(original residue number in PDB)		F18 A19 G20 L21 G23 E40 W41 S305 V306
Binding residue
(residue number reindexed from 1)		F18 A19 G20 L21 G23 E40 W41 S292 V293
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) C81 E119 R163 R165
Catalytic site (residue number reindexed from 1) C81 E106 R150 R152
Enzyme Commision number 2.1.1.37: DNA (cytosine-5-)-methyltransferase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003886 DNA (cytosine-5-)-methyltransferase activity
GO:0008168 methyltransferase activity
Biological Process
GO:0009307 DNA restriction-modification system
GO:0032259 methylation

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Molecular Function
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Biological Process
External links
PDB RCSB:1svu, PDBe:1svu, PDBj:1svu
PDBsum1svu
PubMed15195996
UniProtP05102|MTH1_HAEPH Type II methyltransferase M.HhaI (Gene Name=hhaIM)

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