Structure of PDB 5m65 Chain A Binding Site BS02

Receptor Information
>5m65 Chain A (length=469) Species: 29448 (Bradyrhizobium elkanii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PGFTDYIVKDIALADFGRKEISLAETEMPGLMATREEYGPKQPLKGARIA
GSLHMTIQTAVLIETLAALGADIRWVSCNIYSTQDHAAAAIAAAGIPVFA
VKGETLTEYWDYTAKLFDWHGGGTPNMILDDGGDATMLVHAGYRAEQGDT
AFLDKPGSEEEEIFYALVKRLLKEKPKGWFAEIAKNIKGVSEETTTGVHR
LYEMANKGTLLFPAINVNDSVTKSKFDNLYGCRESLVDGIRRGTDVMLSG
KVAMVAGFGDVGKGSAASLRQAGCRVMVSEVDPICALQAAMEGYEVVTME
DAAPRADIFVTATGNKDIITIEHMRAMKDRAIVCNIGHFDNEIQIASLRN
LKWTNIKPQVDEIEFPDKHRIIMLSEGRLVNLGNAMGHPSFVMSASFTNQ
TLAQIELFANNKDSKYAKKVYVLPKTLDEKVARLHLAKIGVKLTELRKDQ
ADYIGVKQEGPYKSDHYRY
Ligand information
Ligand IDADE
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04n1c(c2ncnc2nc1)N
FormulaC5 H5 N5
NameADENINE
ChEMBLCHEMBL226345
DrugBankDB00173
ZINCZINC000000000882
PDB chain5m65 Chain A Residue 502 [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]
PDB5m65 Crystallographic and SAXS studies ofS-adenosyl-l-homocysteine hydrolase fromBradyrhizobium elkanii.
Resolution1.945 Å
Binding residue
(original residue number in PDB)		H58 T60 Q62 L386 G391 H392 M397
Binding residue
(residue number reindexed from 1)		H54 T56 Q58 L382 G387 H388 M393
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H58 S81 S86 D135 E197 N222 K227 D231 N232 C236 H342 H392 S400 Q404
Catalytic site (residue number reindexed from 1) H54 S77 S82 D131 E193 N218 K223 D227 N228 C232 H338 H388 S396 Q400
Enzyme Commision number 3.13.2.1: adenosylhomocysteinase.
Gene Ontology
Molecular Function
GO:0004013 adenosylhomocysteinase activity
GO:0016787 hydrolase activity
Biological Process
GO:0006730 one-carbon metabolic process
GO:0033353 S-adenosylmethionine cycle
GO:0071269 L-homocysteine biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5m65, PDBe:5m65, PDBj:5m65
PDBsum5m65
PubMed28512574
UniProtA0A087WNH6|SAHH_BRAEL Adenosylhomocysteinase (Gene Name=ahcY)

[Back to BioLiP]