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3ILJ

Crystal structure of E. coli HPPK(D95A) in complex with MgAMPCPP

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 Residues5
DetailsBINDING SITE FOR RESIDUE MG A 161
ChainResidue
AASP97
AAPC171
AHOH201
AHOH202
AHOH203

site_idAC2
Number of Residues26
DetailsBINDING SITE FOR RESIDUE APC A 171
ChainResidue
APRO91
AARG92
AASP97
AILE98
AARG110
ALEU111
ATHR112
AHIS115
ATYR116
AARG121
AHIS148
AMG161
AHOH201
AHOH202
AHOH203
AHOH205
AHOH257
AHOH280
AHOH334
AHOH339
AHOH362
AHOH365
ALYS23
AASP27
AGLN74
AARG88

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 191
ChainResidue
ALEU100
APHE101
AGLY102
AGLU104
AVAL113

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT A 192
ChainResidue
ATHR42
ATYR53
AASN55
APHE123

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 151
ChainResidueDetails
AARG82electrostatic stabiliser, hydrogen bond donor
AARG92electrostatic stabiliser, hydrogen bond donor
AALA95metal ligand
AASP97metal ligand

220113

PDB entries from 2024-05-22

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