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6AN4

Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-39 (J1F)

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 Residues27
Detailsbinding site for residue J1F A 201
ChainResidue
ATHR42
AASP95
ALEU96
AASP97
AILE98
AARG110
ALEU111
ATHR112
AVAL113
AHIS115
ATYR116
APRO43
AARG121
APHE123
AHOH308
AHOH334
AHOH367
AHOH374
AHOH375
AHOH447
APRO44
ALEU45
ATYR53
AASN55
AGLN74
AGLU77
AARG82

site_idAC2
Number of Residues4
Detailsbinding site for residue CL A 202
ChainResidue
ASER38
APHE39
AARG75
AGLN79

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

220113

PDB entries from 2024-05-22

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