Structure of PDB 4m74 Chain B Binding Site BS02
Receptor Information
>4m74 Chain B (length=338) Species:
1912
(Streptomyces hygroscopicus) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
HMSTEVSEAQARRAVADIFNSTLASSAIGAAWELGALDELRENGKLDVSD
FAVRHDLHEPAVVGMFTALASVGIVRREGATVVVGPYFDEANHHRSLFHW
LNQGSGELFRRMPQVLPNENRTGKFYQLDAGAISYACREISERYFDPAFW
AAVDGLGYTPTTVADLGSGSGERLIQIARRFPGVRGLGVDIADGAIAMAE
KEVAAKGFGDQISFVRGDARTIDQVSARGEFAEVDLLTCFMMGHAFWPRE
NCVQTLRKLRAAFPNVRRFLLGDATRTVGIPDRELPVFTLGFEFGHDMMG
EYLPTLDEWDGVFEEGGWRCVKKHAIDSLSVSVVFELE
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
4m74 Chain B Residue 401 [
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
4m74
Structure and mechanism of a nonhaem-iron SAM-dependent C-methyltransferase and its engineering to a hydratase and an O-methyltransferase
Resolution
2.2 Å
Binding residue
(original residue number in PDB)
S140 G166 D189 I190 G216 D217 F239 M240 M241
Binding residue
(residue number reindexed from 1)
S141 G167 D190 I191 G217 D218 F240 M241 M242
Annotation score
5
Enzymatic activity
Enzyme Commision number
2.1.1.281
: phenylpyruvate C(3)-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168
methyltransferase activity
Biological Process
GO:0009058
biosynthetic process
GO:0017000
antibiotic biosynthetic process
GO:0032259
methylation
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:4m74
,
PDBe:4m74
,
PDBj:4m74
PDBsum
4m74
PubMed
24914966
UniProt
Q643C8
|MPPJ_STRHY Phenylpyruvate C(3)-methyltransferase (Gene Name=mppJ)
[
Back to BioLiP
]