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3KUH

Crystal structure of E. coli HPPK(H115A) in complex with AMPCPP and HP

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 Residues30
DetailsBINDING SITE FOR RESIDUE APC A 171
ChainResidue
ALEU70
ALEU111
ATHR112
ATYR116
AARG121
APH2181
AMG191
AMG192
AHOH201
AHOH202
AHOH206
AGLN74
AHOH213
AHOH227
AHOH239
AHOH294
AHOH371
AHOH387
AHOH416
AHOH417
AHOH437
AHOH525
AARG82
AHOH541
AARG84
AARG92
AASP95
AASP97
AILE98
AARG110

site_idAC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE PH2 A 181
ChainResidue
ATHR42
APRO43
ALEU45
ATYR53
AASN55
ATRP89
AARG92
AASP95
APHE123
AAPC171
AMG192
AHOH203
AHOH211
AHOH263

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 191
ChainResidue
AASP95
AASP97
AAPC171
AMG192
AHOH201
AHOH202

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 192
ChainResidue
AASP95
AASP97
AAPC171
APH2181
AMG191
AHOH203

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL A 193
ChainResidue
ALYS119
APHE137
APRO138
AASP139
AHOH379
AHOH526

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT A 194
ChainResidue
AGLU30
ASER31
AHIS32
AHOH329
AHOH450
AHOH534

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 2024-07-17

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