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1HQ2

CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E.COLI HPPK(R82A) WITH MGAMPCPP AND 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN AT 1.25 ANGSTROM RESOLUTION

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
AHOH210

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 162
ChainResidue
AAPC171
APH2181
AHOH208
AASP95
AASP97
AMG161

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 163
ChainResidue
ALYS119
APHE137
APRO138
AASP139
AHOH279

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 164
ChainResidue
ATYR116
AAPC171
AHOH205
AHOH265
AHOH301

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT A 165
ChainResidue
AGLU30
ASER31
AHIS32
AHOH403
AHOH404
AHOH488

site_idAC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE ACT A 166
ChainResidue
ALEU11
APRO51
AALA65
APRO66
AHOH254
AHOH306
AHOH380
AHOH466

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT A 167
ChainResidue
AGLY46
AGLY46
AHOH318
AHOH318
AHOH451
AHOH451

site_idAC8
Number of Residues29
DetailsBINDING SITE FOR RESIDUE APC A 171
ChainResidue
AGLN74
AARG84
ATRP89
AARG92
AASP95
AASP97
AILE98
AARG110
ALEU111
ATHR112
AHIS115
ATYR116
AARG121
AMG161
AMG162
AACT164
APH2181
AHOH201
AHOH204
AHOH208
AHOH210
AHOH229
AHOH242
AHOH257
AHOH265
AHOH268
AHOH280
AHOH305
AHOH498

site_idAC9
Number of Residues14
DetailsBINDING SITE FOR RESIDUE PH2 A 181
ChainResidue
ATHR42
APRO43
ALEU45
ATYR53
AASN55
ATRP89
AASP95
APHE123
AMG162
AAPC171
AHOH203
AHOH208
AHOH247
AHOH253

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_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1hka
ChainResidueDetails
AARG92
AALA82

site_idMCSA1
Number of Residues4
DetailsM-CSA 151
ChainResidueDetails
AALA82electrostatic stabiliser, hydrogen bond donor
AARG92electrostatic stabiliser, hydrogen bond donor
AASP95metal ligand
AASP97metal ligand

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PDB entries from 2025-06-18

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