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1EX8

CRYSTAL STRUCTURE OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE COMPLEXED WITH HP4A, THE TWO-SUBSTRATE-MIMICKING INHIBITOR

Functional Information from GO Data
ChainGOidnamespacecontents
A0000287molecular_functionmagnesium ion binding
A0003848molecular_function2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase activity
A0005524molecular_functionATP binding
A0009396biological_processfolic acid-containing compound biosynthetic process
A0016301molecular_functionkinase activity
A0046654biological_processtetrahydrofolate biosynthetic process
A0046656biological_processfolic acid biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG A 161
ChainResidue
AASP97
AA4P171
AHOH201
AHOH202

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 162
ChainResidue
ALYS119
APHE137
APRO138
AASP139

site_idAC3
Number of Residues32
DetailsBINDING SITE FOR RESIDUE A4P A 171
ChainResidue
APRO43
ALEU45
ATYR53
AASN55
AGLN74
AARG82
AARG84
AARG88
ATRP89
AARG92
AASP97
AILE98
AARG110
ALEU111
ATHR112
AVAL113
AHIS115
AARG121
APHE123
AMG161
AHOH201
AHOH202
AHOH218
AHOH236
AHOH267
AHOH279
AHOH291
AHOH298
AHOH304
AHOH312
AHOH352
ATHR42

Functional Information from PROSITE/UniProt
site_idPS00794
Number of Residues12
DetailsHPPK 7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase signature. RwGPRtlDLDIM
ChainResidueDetails
AARG88-MET99

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 151
ChainResidueDetails
AVAL83electrostatic stabiliser, hydrogen bond donor
ATHR93electrostatic stabiliser, hydrogen bond donor
ALEU96metal ligand
AILE98metal ligand

219869

PDB entries from 2024-05-15

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