Structure of PDB 5t8k Chain C Binding Site BS03

Receptor Information
>5t8k Chain C (length=493) Species: 353152 (Cryptosporidium parvum Iowa II) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MESRIKDISLAEFGLQDMEIAKTDMMGLVELQRKYRDSKPLKGARITGSL
HLTIETSVLVETLYELGAEIRWCSCNIYSTQDHAAAALVKKNIATVFAWK
NETIEDYWVCLNDAMTWRNPNDKDKICGPNLIVDDGGDATLILHEGVKAE
IEYEKYNKIPEYLETELDENGKQLSMDLKCMYKVLKMELLKNPFRWRGML
KDLYGVSEETTTGVLRLKIMESEGKLLLPAINVNDSVTKSKFDNTYGCRQ
SLLHGLFNGCIQMLAGKKIVVLGYGEVGKGCAQGLSGVGARVIVTEIDPI
CALQASMEGYQVSVLEDVVSEADIFITATGNKDVITVEHMRKMKENAYIA
NIGHFDDEIDVYGLENYPGIKVIEVKQNVHKFTFPDTQKSVILLCKGRLV
NLGCATGHPPLVMSMSFTNQVLAQMDLWKSRELVDRSKNTRFFVKKLSKE
LDEYVARLHLDVLGIKLTKLTETQAKYINVSINGPYKSEDYRY
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 chain5t8k Chain C Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5t8k 1.95 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with Adenine and NAD.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		H53 T55 T58 L404 H410 M415
Binding residue
(residue number reindexed from 1)		H51 T53 T56 L402 H408 M413
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H53 S76 S81 D137 E211 N236 K241 D245 N246 C250 H356 H410 S418 Q422
Catalytic site (residue number reindexed from 1) H51 S74 S79 D135 E209 N234 K239 D243 N244 C248 H354 H408 S416 Q420
Enzyme Commision number 3.13.2.1: adenosylhomocysteinase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004013 adenosylhomocysteinase activity
GO:0016787 hydrolase activity
Biological Process
GO:0006730 one-carbon metabolic process
GO:0033353 S-adenosylmethionine cycle
Cellular Component
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:5t8k, PDBe:5t8k, PDBj:5t8k
PDBsum5t8k
PubMed
UniProtQ5CPH1

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