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1Q0N

CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE FROM E. COLI WITH MGAMPCPP AND 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN AT 1.25 ANGSTROM RESOLUTION

Replaces:  1EQO
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 Residues6
DetailsBINDING SITE FOR RESIDUE MG A 161
ChainResidue
AASP95
AASP97
AMG162
AAPC171
AHOH212
AHOH226

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 162
ChainResidue
AAPC171
APH2181
AHOH216
AASP95
AASP97
AMG161

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 163
ChainResidue
APHE137
APRO138
AASP139
AHOH219
AHOH362

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 164
ChainResidue
ATYR116
AAPC171
AHOH204
AHOH254
AHOH378

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT A 165
ChainResidue
AGLU30
ASER31
AHIS32
AHOH341
AHOH438
AHOH470
AHOH475

site_idAC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE ACT A 166
ChainResidue
ALEU11
APRO51
AALA65
APRO66
AHOH266
AHOH318
AHOH331
AHOH350
AHOH428

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 167
ChainResidue
AGLY46
AGLY46
ATRP89
ATRP89
AHOH415

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
AHOH212
AHOH216
AHOH226
AHOH251
AHOH254
AHOH255
AHOH274
AHOH309
AHOH342
AHOH351
AHOH363
AHOH382

site_idAC9
Number of Residues14
DetailsBINDING SITE FOR RESIDUE PH2 A 181
ChainResidue
ATHR42
APRO43
ALEU45
ATYR53
AASN55
ATRP89
AASP95
APHE123
AMG162
AAPC171
AHOH205
AHOH216
AHOH245
AHOH382

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
AARG82

site_idMCSA1
Number of Residues4
DetailsM-CSA 151
ChainResidueDetails
AVAL83electrostatic stabiliser, hydrogen bond donor
ATHR93electrostatic stabiliser, hydrogen bond donor
ALEU96metal ligand
AILE98metal ligand

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PDB entries from 2024-07-10

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