Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

4M5G

The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase

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
A0016310biological_processphosphorylation
A0016740molecular_functiontransferase activity
A0046654biological_processtetrahydrofolate biosynthetic process
A0046656biological_processfolic acid biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues26
DetailsBINDING SITE FOR RESIDUE APC A 301
ChainResidue
AGLN74
ALEU111
ATHR112
AHIS115
ATYR116
AARG121
AGLN145
AHIS148
ACA303
ACA304
AHOH402
AARG82
AHOH428
AHOH430
AHOH448
AHOH452
AHOH521
AHOH524
AHOH554
AARG84
ATRP89
AARG92
AASP95
AASP97
AILE98
AARG110

site_idAC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE YH1 A 302
ChainResidue
ATHR42
APRO43
APRO44
ALEU45
ATYR53
AASN55
ATRP89
AARG121
APHE123
AHOH401
AHOH525
AHOH547

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CA A 303
ChainResidue
AASP95
AASP97
AAPC301
AHOH428
AHOH429

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CA A 304
ChainResidue
AASP95
AASP97
AAPC301
AHOH401
AHOH402

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 305
ChainResidue
ASER13
APRO14
ALEU15
AHOH513

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 306
ChainResidue
ALYS119
APRO138
AASP139
AHOH500

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 307
ChainResidue
AGLY122
APHE152
AHOH406
AHOH408

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 308
ChainResidue
AGLY81
AVAL83
AARG92
ATHR93

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

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon