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6AN6

Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-72

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
A0016310biological_processphosphorylation
A0046654biological_processtetrahydrofolate biosynthetic process
A0046656biological_processfolic acid biosynthetic process
B0000287molecular_functionmagnesium ion binding
B0003848molecular_function2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase activity
B0005524molecular_functionATP binding
B0009396biological_processfolic acid-containing compound biosynthetic process
B0016301molecular_functionkinase activity
B0016310biological_processphosphorylation
B0046654biological_processtetrahydrofolate biosynthetic process
B0046656biological_processfolic acid biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues20
Detailsbinding site for residue J1I A 201
ChainResidue
ATHR42
AILE98
AARG110
ALEU111
ATHR112
AHIS115
ATYR116
AARG121
APHE123
AHOH311
AHOH320
APRO43
AHOH328
APRO44
ALEU45
ATYR53
AASN55
AGLN74
AASP95
AASP97

site_idAC2
Number of Residues20
Detailsbinding site for residue J1I B 201
ChainResidue
BTHR42
BPRO43
BPRO44
BLEU45
BTYR53
BASN55
BASP95
BASP97
BILE98
BARG110
BLEU111
BTHR112
BVAL113
BHIS115
BTYR116
BARG121
BPHE123
BHIS148
BHOH324
BHOH326

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

site_idMCSA2
Number of Residues4
DetailsM-CSA 151
ChainResidueDetails
BARG82electrostatic stabiliser, hydrogen bond donor
BARG92electrostatic stabiliser, hydrogen bond donor
BASP95metal ligand
BASP97metal ligand

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PDB entries from 2024-09-11

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