Structure of PDB 1hmy Chain A Binding Site BS01
Receptor Information
>1hmy Chain A (length=327) Species:
726
(Haemophilus haemolyticus) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
MIEIKDKQLTGLRFIDLFAGLGGFRLALESCGAECVYSNEWDKYAQEVYE
MNFGEKPEGDITQVNEKTIPDHDILCAGFPCQAFSISGKQKGFEDSRGTL
FFDIARIVREKKPKVVFMENVKNFASHDNGNTLEVVKNTMNELDYSFHAK
VLNALDYGIPQKRERIYMICFRNDLNIQNFQFPKPFELNTFVKDLLLPDS
EVEHLVIDRKDLVMTNQEIEQTTPKTVRLGIVGKGGQGERIYSTRGIAIT
LSAYGGGIFAKTGGYLVNGKTRKLHPRECARVMGYPDSYKVHPSTSQAYK
QFGNSVVINVLQYIAYNIGSSLNFKPY
Ligand information
Ligand ID
SAM
InChI
InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
InChIKey
MEFKEPWMEQBLKI-FCKMPRQPSA-N
SMILES
Software
SMILES
CACTVS 3.341
C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0
C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341
C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0
C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
ACDLabs 10.04
[O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
Formula
C15 H22 N6 O5 S
Name
S-ADENOSYLMETHIONINE
ChEMBL
CHEMBL1235831
DrugBank
ZINC
PDB chain
1hmy Chain A Residue 328 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure summary
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
PDB
1hmy
Crystal structure of the HhaI DNA methyltransferase complexed with S-adenosyl-L-methionine.
Resolution
2.5 Å
Binding residue
(original residue number in PDB)
F18 E40 W41 D60 I61 T62 G78 F79 P80 L100
Binding residue
(residue number reindexed from 1)
F18 E40 W41 D60 I61 T62 G78 F79 P80 L100
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
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:1hmy
,
PDBe:1hmy
,
PDBj:1hmy
PDBsum
1hmy
PubMed
8343957
UniProt
P05102
|MTH1_HAEPH Type II methyltransferase M.HhaI (Gene Name=hhaIM)
[
Back to BioLiP
]