Structure of PDB 5hil Chain A Binding Site BS01

Receptor Information
>5hil Chain A (length=240) Species: 523843 (Methanohalophilus portucalensis FDF-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DHYEEEYVLGFVDKWDELIDWESRAESEGDTIINILKERGVKKVLDVATG
TGFNSVRLLQAGFDVVSADGSAEMLVKAFDNARDHGYLMRTVQADWRWMN
KDIHDKFDAIVCLGNSFTHLFDEGDRRKALAEFYALLKHDGVLLLDQRNY
DAILDSKHAHYYCGDTVSVYPEHVDEGLARFKYEFSDGSVYNLNMFPLRK
DYTRQLLHEVGFQEINTLGDFKETYKEDEPDFFLHVAEKN
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 chain5hil Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure 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]
PDB5hil Structural Analysis of Glycine Sarcosine N-methyltransferase from Methanohalophilus portucalensis Reveals Mechanistic Insights into the Regulation of Methyltransferase Activity
Resolution2.471 Å
Binding residue
(original residue number in PDB)		R43 A67 G69 N73 D88 G89 D114 W115 L132 S135
Binding residue
(residue number reindexed from 1)		R24 A48 G50 N54 D69 G70 D95 W96 L113 S116
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) Y26 G133 H138 R167 Y185
Catalytic site (residue number reindexed from 1) Y7 G114 H119 R148 Y162
Enzyme Commision number 2.1.1.156: glycine/sarcosine N-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0016594 glycine binding
GO:0016740 transferase activity
GO:0017174 glycine N-methyltransferase activity
GO:0042802 identical protein binding
GO:1904047 S-adenosyl-L-methionine binding
Biological Process
GO:0006111 regulation of gluconeogenesis
GO:0006730 one-carbon metabolic process
GO:0032259 methylation
GO:0046498 S-adenosylhomocysteine metabolic process
GO:0046500 S-adenosylmethionine metabolic process
GO:0051289 protein homotetramerization
GO:1901052 sarcosine metabolic process
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5hil, PDBe:5hil, PDBj:5hil
PDBsum5hil
PubMed27934872
UniProtF6KV61

[Back to BioLiP]