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2AA0

Crystal structure of T. gondii adenosine kinase complexed with 6-methylmercaptopurine riboside

Functional Information from GO Data
ChainGOidnamespacecontents
A0004001molecular_functionadenosine kinase activity
A0005524molecular_functionATP binding
A0005634cellular_componentnucleus
A0005829cellular_componentcytosol
A0006144biological_processpurine nucleobase metabolic process
A0006166biological_processpurine ribonucleoside salvage
A0016301molecular_functionkinase activity
A0034654biological_processnucleobase-containing compound biosynthetic process
A0044209biological_processAMP salvage
A0046872molecular_functionmetal ion binding
A0055086biological_processnucleobase-containing small molecule metabolic process
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 2001
ChainResidue
AASN20
AALA71
ATHR167
AMTP1001
AHOH3005

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA A 2002
ChainResidue
AALA291
AHOH3081
AASN268
ATHR269
AGLN289
ATHR290

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA A 2003
ChainResidue
AVAL348
AHIS351
AGLY353
AHOH3234

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT A 3001
ChainResidue
ATHR278
AGLY317
AHOH3067
AHOH3068

site_idAC5
Number of Residues13
DetailsBINDING SITE FOR RESIDUE MTP A 1001
ChainResidue
AASN20
AILE22
AASP24
AGLY69
ASER70
AASN73
ATHR140
ATYR169
AASP318
APHE354
ACL2001
AHOH3109
AHOH3151

site_idAC6
Number of Residues11
DetailsBINDING SITE FOR RESIDUE MTP A 1002
ChainResidue
AGLY280
AVAL284
AVAL302
AVAL305
AALA316
AGLY317
AASN342
AALA345
AGLN346
AHOH3074
AHOH3247

Functional Information from PROSITE/UniProt
site_idPS00584
Number of Residues14
DetailsPFKB_KINASES_2 pfkB family of carbohydrate kinases signature 2. DTnGAGDafvGGFL
ChainResidueDetails
AASP312-LEU325

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE:
ChainResidueDetails
AASP318

site_idSWS_FT_FI2
Number of Residues3
DetailsBINDING:
ChainResidueDetails
AALA185
AILE188
AALA191

Catalytic Information from CSA
site_idMCSA1
Number of Residues2
DetailsM-CSA 209
ChainResidueDetails
AARG136electrostatic stabiliser, hydrogen bond donor
AASP318hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

221051

PDB entries from 2024-06-12

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