Structure of PDB 5hm8 Chain G Binding Site BS01

Receptor Information

>5hm8 Chain G (length=494) Species: 353152 (Cryptosporidium parvum Iowa II)

KMESRIKDISLAEFGLQDMEIAKTDMMGLVELQRKYRDSKPLKGARITGS
LHLTIETSVLVETLYELGAEIRWCSCNIYSTQDHAAAALVKKNIATVFAW
KNETIEDYWVCLNDAMTWRNPNDKDKICGPNLIVDDGGDATLILHEGVKA
EIEYEKYNKIPEYLETELDENGKQLSMDLKCMYKVLKMELLKNPFRWRGM
LKDLYGVSEETTTGVLRLKIMESEGKLLLPAINVNDSVTKSKFDNTYGCR
QSLLHGLFNGCIQMLAGKKIVVLGYGEVGKGCAQGLSGVGARVIVTEIDP
ICALQASMEGYQVSVLEDVVSEADIFITATGNKDVITVEHMRKMKENAYI
ANIGHFDDEIDVYGLENYPGIKVIEVKQNVHKFTFPDTQKSVILLCKGRL
VNLGCATGHPPLVMSMSFTNQVLAQMDLWKSRELVDRSKNTRFFVKKLSK
ELDEYVARLHLDVLGIKLTKLTETQAKYINVSINGPYKSEDYRY

Ligand information

• Ligand ID: ADN
• InChI: InChI=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
• InChIKey: OIRDTQYFTABQOQ-KQYNXXCUSA-N
• SMILES:
  CACTVS 3.341: Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
  ACDLabs 10.04: n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
  OpenEye OEToolkits 1.5.0: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
  CACTVS 3.341: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
  OpenEye OEToolkits 1.5.0: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N
• Formula: C10 H13 N5 O4
• Name: ADENOSINE
• ChEMBL: CHEMBL477
• DrugBank: DB00640
• ZINC: ZINC000002169830
• PDB chain: 5hm8 Chain G Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5hm8 2.85 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with Adenosine and NAD.
• Resolution: 2.85 Å
• Binding residue (original residue number in PDB): H53 T55 D137 T212 K241 D245 H356 H410 M415
• Binding residue (residue number reindexed from 1): H52 T54 D136 T211 K240 D244 H355 H409 M414
• Annotation score: 5

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): H52 S75 S80 D136 E210 N235 K240 D244 N245 C249 H355 H409 S417 Q421
• 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

External links

• PDB: RCSB:5hm8, PDBe:5hm8, PDBj:5hm8
• PDBsum: 5hm8
• UniProt: Q5CPH1