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3HSG

Crystal structure of E. coli HPPK(Y53A) in complex with MgAMPCPP

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 Residues6
DetailsBINDING SITE FOR RESIDUE MG A 161
ChainResidue
AASP95
AASP97
AMG162
AAPC171
AHOH201
AHOH202

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 162
ChainResidue
AAPC171
AHOH203
AHOH204
AASP95
AASP97
AMG161

site_idAC3
Number of Residues31
DetailsBINDING SITE FOR RESIDUE APC A 171
ChainResidue
ASER13
ALEU15
AGLU16
AASN19
AALA20
AGLN74
AARG92
AASP95
AASP97
AILE98
AARG110
ALEU111
ATHR112
AHIS115
ATYR116
AARG121
AGLN145
AHIS148
AMG161
AMG162
AHOH201
AHOH202
AHOH203
AHOH204
AHOH206
AHOH208
AHOH239
AHOH285
AHOH289
AHOH373
AHOH402

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL A 191
ChainResidue
APRO114
ALYS119
APHE137
APRO138
AASP139
AHOH342

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT A 192
ChainResidue
APRO29
AGLU30
ALEU64
AHIS72
AHOH307
AHOH363
AHOH382

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT A 193
ChainResidue
ALYS23
ATHR42
AALA53
AASN55
AHOH235
AHOH394

site_idAC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 194
ChainResidue
ALEU11
AALA12
ASER13
ATHR108
AHOH230
AHOH349
AHOH361
AHOH400

site_idAC8
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 195
ChainResidue
ASER38
APHE39
ATHR149
AALA151
APHE152
ALYS157
ATRP158
AHOH265
AHOH366

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
AARG82electrostatic stabiliser, hydrogen bond donor
AARG92electrostatic stabiliser, hydrogen bond donor
AASP95metal ligand
AASP97metal ligand

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PDB entries from 2025-12-24

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