3FL9
Crystal structure of B. anthracis dihydrofolate reductase (DHFR) with trimethoprim
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0000166 | molecular_function | nucleotide binding |
A | 0004146 | molecular_function | dihydrofolate reductase activity |
A | 0006730 | biological_process | one-carbon metabolic process |
A | 0016491 | molecular_function | oxidoreductase activity |
A | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
A | 0046872 | molecular_function | metal ion binding |
A | 0050661 | molecular_function | NADP binding |
B | 0000166 | molecular_function | nucleotide binding |
B | 0004146 | molecular_function | dihydrofolate reductase activity |
B | 0006730 | biological_process | one-carbon metabolic process |
B | 0016491 | molecular_function | oxidoreductase activity |
B | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
B | 0046872 | molecular_function | metal ion binding |
B | 0050661 | molecular_function | NADP binding |
C | 0000166 | molecular_function | nucleotide binding |
C | 0004146 | molecular_function | dihydrofolate reductase activity |
C | 0006730 | biological_process | one-carbon metabolic process |
C | 0016491 | molecular_function | oxidoreductase activity |
C | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
C | 0046872 | molecular_function | metal ion binding |
C | 0050661 | molecular_function | NADP binding |
D | 0000166 | molecular_function | nucleotide binding |
D | 0004146 | molecular_function | dihydrofolate reductase activity |
D | 0006730 | biological_process | one-carbon metabolic process |
D | 0016491 | molecular_function | oxidoreductase activity |
D | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
D | 0046872 | molecular_function | metal ion binding |
D | 0050661 | molecular_function | NADP binding |
E | 0000166 | molecular_function | nucleotide binding |
E | 0004146 | molecular_function | dihydrofolate reductase activity |
E | 0006730 | biological_process | one-carbon metabolic process |
E | 0016491 | molecular_function | oxidoreductase activity |
E | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
E | 0046872 | molecular_function | metal ion binding |
E | 0050661 | molecular_function | NADP binding |
F | 0000166 | molecular_function | nucleotide binding |
F | 0004146 | molecular_function | dihydrofolate reductase activity |
F | 0006730 | biological_process | one-carbon metabolic process |
F | 0016491 | molecular_function | oxidoreductase activity |
F | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
F | 0046872 | molecular_function | metal ion binding |
F | 0050661 | molecular_function | NADP binding |
G | 0000166 | molecular_function | nucleotide binding |
G | 0004146 | molecular_function | dihydrofolate reductase activity |
G | 0006730 | biological_process | one-carbon metabolic process |
G | 0016491 | molecular_function | oxidoreductase activity |
G | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
G | 0046872 | molecular_function | metal ion binding |
G | 0050661 | molecular_function | NADP binding |
H | 0000166 | molecular_function | nucleotide binding |
H | 0004146 | molecular_function | dihydrofolate reductase activity |
H | 0006730 | biological_process | one-carbon metabolic process |
H | 0016491 | molecular_function | oxidoreductase activity |
H | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
H | 0046872 | molecular_function | metal ion binding |
H | 0050661 | molecular_function | NADP binding |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE CA A 300 |
Chain | Residue |
A | TYR108 |
A | ASP110 |
A | HOH198 |
site_id | AC2 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE TOP A 200 |
Chain | Residue |
A | ALA50 |
A | ILE51 |
A | LEU55 |
A | PHE96 |
A | TYR102 |
A | HOH248 |
A | MET6 |
A | VAL7 |
A | ALA8 |
A | LEU21 |
A | GLU28 |
A | VAL32 |
site_id | AC3 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE CA B 300 |
Chain | Residue |
B | TYR108 |
B | ASP110 |
B | HOH175 |
D | GLU147 |
site_id | AC4 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE TOP B 200 |
Chain | Residue |
B | MET6 |
B | VAL7 |
B | ALA8 |
B | ASN20 |
B | LEU21 |
B | GLU28 |
B | LEU29 |
B | VAL32 |
B | ALA50 |
B | ILE51 |
B | PHE96 |
B | HOH365 |
site_id | AC5 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE CA C 300 |
Chain | Residue |
A | GLU147 |
C | TYR108 |
C | ASP110 |
site_id | AC6 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE TOP C 200 |
Chain | Residue |
C | MET6 |
C | VAL7 |
C | ALA8 |
C | LEU21 |
C | GLU28 |
C | LEU29 |
C | VAL32 |
C | ILE51 |
C | PHE96 |
C | HOH167 |
site_id | AC7 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE CA D 300 |
Chain | Residue |
D | TYR108 |
D | ASP110 |
site_id | AC8 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE TOP D 200 |
Chain | Residue |
D | MET6 |
D | VAL7 |
D | ALA8 |
D | GLU28 |
D | VAL32 |
D | ALA50 |
D | ILE51 |
D | LEU55 |
D | PHE96 |
D | TYR102 |
D | HOH370 |
site_id | AC9 |
Number of Residues | 1 |
Details | BINDING SITE FOR RESIDUE CA E 300 |
Chain | Residue |
E | ASP110 |
site_id | BC1 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE TOP E 200 |
Chain | Residue |
E | MET6 |
E | VAL7 |
E | ALA8 |
E | LEU21 |
E | GLU28 |
E | LEU29 |
E | VAL32 |
E | ILE51 |
E | LEU55 |
E | PHE96 |
E | THR115 |
site_id | BC2 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE CA F 300 |
Chain | Residue |
F | TYR108 |
F | ASP110 |
F | HOH268 |
site_id | BC3 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE TOP F 200 |
Chain | Residue |
F | MET6 |
F | VAL7 |
F | ALA8 |
F | ASN20 |
F | LEU21 |
F | GLU28 |
F | VAL32 |
F | ILE51 |
F | PHE96 |
site_id | BC4 |
Number of Residues | 1 |
Details | BINDING SITE FOR RESIDUE CA G 300 |
Chain | Residue |
G | ASP110 |
site_id | BC5 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE TOP G 200 |
Chain | Residue |
G | MET6 |
G | VAL7 |
G | ALA8 |
G | LEU21 |
G | GLU28 |
G | LEU29 |
G | VAL32 |
G | LEU55 |
G | PHE96 |
G | TYR102 |
G | THR115 |
site_id | BC6 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE CA H 300 |
Chain | Residue |
F | GLU147 |
H | TYR108 |
H | ASP110 |
site_id | BC7 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE TOP H 200 |
Chain | Residue |
H | GLU28 |
H | LEU29 |
H | VAL32 |
H | LEU55 |
H | PHE96 |
H | THR115 |
H | MET6 |
H | VAL7 |
H | ALA8 |
Functional Information from PROSITE/UniProt
site_id | PS00075 |
Number of Residues | 23 |
Details | DHFR_1 Dihydrofolate reductase (DHFR) domain signature. VIGkdnnLPWrlps.ElqyVkktT |
Chain | Residue | Details |
A | VAL14-THR36 |
Catalytic Information from CSA
site_id | CSA1 |
Number of Residues | 2 |
Details | Annotated By Reference To The Literature 1dhf |
Chain | Residue | Details |
A | GLU28 | |
A | LEU21 |
site_id | CSA2 |
Number of Residues | 2 |
Details | Annotated By Reference To The Literature 1dhf |
Chain | Residue | Details |
B | GLU28 | |
B | LEU21 |
site_id | CSA3 |
Number of Residues | 2 |
Details | Annotated By Reference To The Literature 1dhf |
Chain | Residue | Details |
C | GLU28 | |
C | LEU21 |
site_id | CSA4 |
Number of Residues | 2 |
Details | Annotated By Reference To The Literature 1dhf |
Chain | Residue | Details |
D | GLU28 | |
D | LEU21 |
site_id | CSA5 |
Number of Residues | 2 |
Details | Annotated By Reference To The Literature 1dhf |
Chain | Residue | Details |
E | GLU28 | |
E | LEU21 |
site_id | CSA6 |
Number of Residues | 2 |
Details | Annotated By Reference To The Literature 1dhf |
Chain | Residue | Details |
F | GLU28 | |
F | LEU21 |
site_id | CSA7 |
Number of Residues | 2 |
Details | Annotated By Reference To The Literature 1dhf |
Chain | Residue | Details |
G | GLU28 | |
G | LEU21 |
site_id | CSA8 |
Number of Residues | 2 |
Details | Annotated By Reference To The Literature 1dhf |
Chain | Residue | Details |
H | GLU28 | |
H | LEU21 |