Structure of PDB 9mht Chain A Binding Site BS03
Receptor Information
>9mht Chain A (length=327) Species:
726
(Haemophilus haemolyticus) [
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MIEIKDKQLTGLRFIDLFAGLGGFRLALESCGAECVYSNEWDKYAQEVYE
MNFGEKPEGDITQVNEKTIPDHDILCAGFPCQAFSISGKQKGFEDSRGTL
FFDIARIVREKKPKVVFMENVKNFASHDNGNTLEVVKNTMNELDYSFHAK
VLNALDYGIPQKRERIYMICFRNDLNIQNFQFPKPFELNTFVKDLLLPDS
EVEHLVIDRKDLVMTNQEIEQTTPKTVRLGIVGKGGQGERIYSTRGIAIT
LSAYGGGIFAKTGGYLVNGKTRKLHPRECARVMGYPDSYKVHPSTSQAYK
QFGNSVVINVLQYIAYNIGSSLNFKPY
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
9mht Chain A Residue 328 [
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Receptor-Ligand Complex Structure
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PDB
9mht
Structures of HhaI methyltransferase complexed with substrates containing mismatches at the target base.
Resolution
2.39 Å
Binding residue
(original residue number in PDB)
F18 A19 G23 E40 W41 D60 G78 N304 S305
Binding residue
(residue number reindexed from 1)
F18 A19 G23 E40 W41 D60 G78 N304 S305
Annotation score
5
Enzymatic activity
Catalytic site (original residue number in PDB)
C81 E119 R163 R165
Catalytic site (residue number reindexed from 1)
C81 E119 R163 R165
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
View graph for
Biological Process
External links
PDB
RCSB:9mht
,
PDBe:9mht
,
PDBj:9mht
PDBsum
9mht
PubMed
9783745
UniProt
P05102
|MTH1_HAEPH Type II methyltransferase M.HhaI (Gene Name=hhaIM)
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