Structure of PDB 1a7a Chain A Binding Site BS02

Receptor Information
>1a7a Chain A (length=431) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDKLPYKVADIGLAAWGRKALDIAENEMPGLMRMRERYSASKPLKGARIA
GCLHMTVETAVLIETLVTLGAEVQWSSCNIFSTQNHAAAAIAKAGIPVYA
WKGETDEEYLWCIEQTLYFKDGPLNMILDDGGDLTNLIHTKYPQLLPGIR
GISEETTTGVHNLYKMMANGILKVPAINVNDSVTKSKFDNLYGCRESLID
GIKRATDVMIAGKVAVVAGYGDVGKGCAQALRGFGARVIITEIDPINALQ
AAMEGYEVTTMDEACQEGNIFVTTTGCIDIILGRHFEQMKDDAIVCNIGH
FDVEIDVKWLNENAVEKVNIKPQVDRYRLKNGRRIILLAEGRLVNLGCAM
GHPSFVMSNSFTNQVMAQIELWTHPDKYPVGVHFLPKKLDEAVAEAHLGK
LNVKLTKLTEKQAQYLGMSCDGPFKPDHYRY
Ligand information
Ligand IDADC
InChIInChI=1S/C10H11N5O2/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17/h1-6,8,16-17H,(H2,11,12,13)/t5-,6+,8+/m1/s1
InChIKeyRQPALADHFYHEHK-CHKWXVPMSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3C=C[CH](O)[CH]3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3C=C[C@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@@H]3C=CC([C@H]3O)O)N
ACDLabs 10.04n1c(c2ncn(c2nc1)C3C=CC(O)C3O)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C=CC(C3O)O)N
FormulaC10 H11 N5 O2
Name(1'R,2'S)-9-(2-HYDROXY-3'-KETO-CYCLOPENTEN-1-YL)ADENINE
ChEMBL
DrugBankDB03216
ZINC
PDB chain1a7a Chain A Residue 435 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1a7a Structure determination of selenomethionyl S-adenosylhomocysteine hydrolase using data at a single wavelength.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		H55 T57 E59 E156 T157 D190 L347 G352 H353 M358
Binding residue
(residue number reindexed from 1)		H54 T56 E58 E155 T156 D189 L346 G351 H352 M357
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) H55 S78 S83 D131 E156 N181 K186 D190 N191 C195 H301 H353 S361 Q365
Catalytic site (residue number reindexed from 1) H54 S77 S82 D130 E155 N180 K185 D189 N190 C194 H300 H352 S360 Q364
Enzyme Commision number 3.13.2.1: adenosylhomocysteinase.
Gene Ontology
Molecular Function
GO:0004013 adenosylhomocysteinase activity
GO:0005515 protein binding
GO:0016787 hydrolase activity
Biological Process
GO:0006730 one-carbon metabolic process
GO:0033353 S-adenosylmethionine cycle
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005829 cytosol
GO:0042470 melanosome
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1a7a, PDBe:1a7a, PDBj:1a7a
PDBsum1a7a
PubMed9586999
UniProtP23526|SAHH_HUMAN Adenosylhomocysteinase (Gene Name=AHCY)

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