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1LIJ

STRUCTURE OF T. GONDII ADENOSINE KINASE BOUND TO PRODRUG 2 7-IODOTUBERCIDIN AND AMP-PCP

Replaces:  1DH1
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 899
ChainResidue
AGLY19
AASN20
AALA71
ATHR167
ARPP699

site_idAC2
Number of Residues1
DetailsBINDING SITE FOR RESIDUE MG A 999
ChainResidue
AACP799

site_idAC3
Number of Residues16
DetailsBINDING SITE FOR RESIDUE RPP A 699
ChainResidue
ALEU46
AGLY68
AGLY69
ASER70
AASN73
ATHR140
ATYR169
AASN314
AASP318
AACP799
ACL899
AHOH1005
AHOH1015
AASN20
AASP24
ATHR45

site_idAC4
Number of Residues21
DetailsBINDING SITE FOR RESIDUE ACP A 799
ChainResidue
AARG136
AASN223
ATHR278
AGLY280
AHIS281
AVAL284
AVAL302
ATHR313
AASN314
AGLY315
AALA316
AGLY317
AASN342
AALA345
AGLN346
ARPP699
AMG999
AHOH1000
AHOH1004
AHOH1095
AHOH1122

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_idCSA1
Number of Residues2
Detailsa catalytic site defined by CSA, PubMed 10801355
ChainResidueDetails
AARG136
AASP318

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

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PDB entries from 2024-07-24

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