Structure of PDB 7r39 Chain E Binding Site BS02

Receptor Information
>7r39 Chain E (length=412) Species: 2285 (Sulfolobus acidocaldarius) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RVKDLSLAEQGRKQIEWAELHMPALMEIRKRFNAEKPLDGIRIGAVLHVT
KETAVLVETLKAGGAEIALAGSNPLSTQDDVAAGLAKNGIHVYAWRGETE
KDYYDNIREILKYEPHVIMDDGGDLHAYVHENNLTSKIVGGTEETTTGVI
RLKAMEEEKVLKYPVIAVNNAFTKYLFDNRIGTGQSTIDGILRATNILIA
GKVAVVIGYGWVGRGIASRFKGMGARVIVVESSPFRALEALMDGFDVMTM
NRASEIGDIFVTATGNLNVVSRDHILRMKDGAVLANSGHFNVEIDVKGLK
EISVETREVRQNLEEYKLRNGKRIYLLADGRLVNLVAAEGHPSEVMDLSF
CNQALSVEHLIKNKGKLENKVYNVPIEIDEQVARLKLKALGIEIEELTIE
QKEYIKQWKYGT
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 chain7r39 Chain E Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7r39 Crystal structure of S-adenosyl-L-homocysteine hydrolase from Sulfolobus acidocaldarius in complex with adenosine
Resolution2.5 Å
Binding residue
(original residue number in PDB)		H51 T53 E55 D124 E147 T148 K177 D181 L335 L338 G343 H344 M349
Binding residue
(residue number reindexed from 1)		H48 T50 E52 D121 E144 T145 K174 D178 L332 L335 G340 H341 M346
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:7r39, PDBe:7r39, PDBj:7r39
PDBsum7r39
PubMed38548921
UniProtQ4JAZ7|SAHH_SULAC Adenosylhomocysteinase (Gene Name=ahcY)

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