Structure of PDB 7o5l Chain C Binding Site BS04

Receptor Information
>7o5l Chain C (length=413) Species: 1111708 (Synechocystis sp. PCC 6803 substr. Kazusa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KYDIKDISLAPQGRQRIEWAAREMPVLKQIRERFAQEKPFAGIRLVACCH
VTTETANLAIALHAGGADSLLIASNPLSTQDDVAACLVADYGIPVYAIKG
EDNETYHRHVQIALDHRPNIIIDDGSDVVATLVQERQHQLSDIIGTTEET
TTGIVRLRAMFNDGVLTFPAMNVNDADTKHFYDNRYGTGQSTLDGIIRAT
NILLAGKTIVVAGYGWCGKGVAMRAKGMGADVIVTEISPVPAIEAAMDGF
RVMPMAEAAHQGDIFITVTGNKHVIRPEHFAVMKDGAIVCNSGHFDIEID
LKSLKEQAKEVKEVRNFTEQYILPNGKSIIVIGEGRLVNLAAAEGHPSAV
MDMSFANQALACEHLVKNKGQLEPGMHSIPVEVDQEIARLKLQAMGIAID
SLTPEQVEYINSW
Ligand information
Ligand IDADN
InChIInChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKeyOIRDTQYFTABQOQ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
ACDLabs 10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N
FormulaC10 H13 N5 O4
NameADENOSINE
ChEMBLCHEMBL477
DrugBankDB00640
ZINCZINC000002169830
PDB chain7o5l Chain C Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7o5l Biochemical and structural insights into an unusual, alkali-metal-independent S-adenosyl-L-homocysteine hydrolase from Synechocystis sp. PCC 6803.
Resolution1.74 Å
Binding residue
(original residue number in PDB)		H58 T60 D132 E157 T158 K187 D191 L345 H354 M359
Binding residue
(residue number reindexed from 1)		H50 T52 D124 E149 T150 K179 D183 L337 H346 M351
Annotation score5
Enzymatic activity
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7o5l, PDBe:7o5l, PDBj:7o5l
PDBsum7o5l
PubMed35775986
UniProtP74008|SAHH_SYNY3 Adenosylhomocysteinase (Gene Name=ahcY)

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