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3ILO

Crystal structure of E. coli HPPK(D97A) in complex with MgAMPCPP and 6-hydroxymethyl-7,8-dihydropterin

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
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
A0016740molecular_functiontransferase activity
A0046654biological_processtetrahydrofolate biosynthetic process
A0046656biological_processfolic acid biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 161
ChainResidue
AASP95
AAPC171
AHOH201
AHOH202
AHOH203

site_idAC2
Number of Residues30
DetailsBINDING SITE FOR RESIDUE APC A 171
ChainResidue
AARG92
AASP95
AILE98
AARG110
ALEU111
ATHR112
AHIS115
ATYR116
AARG121
AMG161
APH2181
AHOH201
AHOH202
AHOH203
AHOH204
AHOH206
AHOH217
AHOH220
AHOH222
AHOH256
AHOH329
AHOH356
AHOH365
AHOH368
AHOH373
AHOH543
ALEU70
AGLN74
AARG82
AARG84

site_idAC3
Number of Residues13
DetailsBINDING SITE FOR RESIDUE PH2 A 181
ChainResidue
ATHR42
APRO43
APRO44
ALEU45
ATYR53
AASN55
ATRP89
AARG92
APHE123
AAPC171
AHOH211
AHOH212
AHOH543

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 191
ChainResidue
ALYS119
APHE137
AASP139
AHOH386
AHOH522

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT A 192
ChainResidue
AGLU30
ASER31
AHIS32
AHOH318
AHOH444
AHOH539

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 151
ChainResidueDetails
AARG82electrostatic stabiliser, hydrogen bond donor
AARG92electrostatic stabiliser, hydrogen bond donor
AASP95metal ligand
AALA97metal ligand

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PDB entries from 2025-07-02

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