Structure of PDB 2h5l Chain F Binding Site BS03

Receptor Information
>2h5l Chain F (length=430) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKLPYKVADIGLAAWGRKALDIAENEMPGLMRMREMYSASKPLKGARIAG
CLHMTVETAVLIETLVALGAEVRWSSCNIFSTQDHAAAAIAKAGIPVFAW
KGETDEEYLWCIEQTLHFKDGPLNMILDDGGDLTNLIHTKHPQLLSGIRG
ISEETTTGVHNLYKMMANGILKVPAINVNDSVTKSKFDNLYGCRESLIDG
IKRATDVMIAGKVAVVAGYGDVGKGCAQALRGFGARVIITEIDPINALQA
AMEGYEVTTMDEACKEGNIFVTTTGCVDIILGRHFEQMKDDAIVCNIGHF
DVEIDVKWLNENAVEKVNIKPQVDRYLLKNGHRIILLAEGRLVNLGCAMG
HPSFVMSNSFTNQVMAQIELWTHPDKYPVGVHFLPKKLDEAVAEAHLGKL
NVKLTKLTEKQAQYLGMPINGPFKPDHYRY
Ligand information
Ligand ID3DD
InChIInChI=1S/C10H12N4O4/c11-9-7-5(1-2-12-9)14(4-13-7)3-6(15)8(16)10(17)18/h1-2,4,6,8,15-16H,3H2,(H2,11,12)(H,17,18)/t6-,8-/m1/s1
InChIKeyPBWCZGPIALILAS-HTRCEHHLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cnc(c2c1n(cn2)C[C@H]([C@H](C(=O)O)O)O)N
ACDLabs 10.04O=C(O)C(O)C(O)Cn1c2ccnc(c2nc1)N
CACTVS 3.341Nc1nccc2n(C[CH](O)[CH](O)C(O)=O)cnc12
OpenEye OEToolkits 1.5.0c1cnc(c2c1n(cn2)CC(C(C(=O)O)O)O)N
CACTVS 3.341Nc1nccc2n(C[C@@H](O)[C@@H](O)C(O)=O)cnc12
FormulaC10 H12 N4 O4
Name(2R,3R)-4-(4-AMINO-1H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-2,3-DIHYDROXYBUTANOIC ACID
ChEMBL
DrugBank
ZINCZINC000038599093
PDB chain2h5l Chain F Residue 433 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2h5l Structure and function of eritadenine and its 3-deaza analogues: Potent inhibitors of S-adenosylhomocysteine hydrolase and hypocholesterolemic agents.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		L53 T56 E58 D130 T156 K185 D189 L346 G351 H352 M357
Binding residue
(residue number reindexed from 1)		L52 T55 E57 D129 T155 K184 D188 L345 G350 H351 M356
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H54 S77 S82 D130 E155 N180 K185 D189 N190 C194 H300 H352 S360 Q364
Catalytic site (residue number reindexed from 1) H53 S76 S81 D129 E154 N179 K184 D188 N189 C193 H299 H351 S359 Q363
Enzyme Commision number 3.13.2.1: adenosylhomocysteinase.
Gene Ontology
Molecular Function
GO:0004013 adenosylhomocysteinase activity
GO:0005507 copper ion binding
GO:0016787 hydrolase activity
GO:0030554 adenyl nucleotide binding
GO:0042802 identical protein binding
GO:0051287 NAD binding
GO:0098604 adenosylselenohomocysteinase activity
Biological Process
GO:0001666 response to hypoxia
GO:0002439 chronic inflammatory response to antigenic stimulus
GO:0006730 one-carbon metabolic process
GO:0007584 response to nutrient
GO:0019510 S-adenosylhomocysteine catabolic process
GO:0033353 S-adenosylmethionine cycle
GO:0042745 circadian sleep/wake cycle
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005829 cytosol
GO:0042470 melanosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2h5l, PDBe:2h5l, PDBj:2h5l
PDBsum2h5l
PubMed17214973
UniProtP10760|SAHH_RAT Adenosylhomocysteinase (Gene Name=Ahcy)

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