4FZB
Structure of thymidylate synthase ThyX complexed to a new inhibitor
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0004799 | molecular_function | thymidylate synthase activity |
A | 0006231 | biological_process | dTMP biosynthetic process |
A | 0006235 | biological_process | dTTP biosynthetic process |
A | 0008168 | molecular_function | methyltransferase activity |
A | 0009165 | biological_process | nucleotide biosynthetic process |
A | 0032259 | biological_process | methylation |
A | 0050660 | molecular_function | flavin adenine dinucleotide binding |
A | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
A | 0070402 | molecular_function | NADPH binding |
B | 0004799 | molecular_function | thymidylate synthase activity |
B | 0006231 | biological_process | dTMP biosynthetic process |
B | 0006235 | biological_process | dTTP biosynthetic process |
B | 0008168 | molecular_function | methyltransferase activity |
B | 0009165 | biological_process | nucleotide biosynthetic process |
B | 0032259 | biological_process | methylation |
B | 0050660 | molecular_function | flavin adenine dinucleotide binding |
B | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
B | 0070402 | molecular_function | NADPH binding |
C | 0004799 | molecular_function | thymidylate synthase activity |
C | 0006231 | biological_process | dTMP biosynthetic process |
C | 0006235 | biological_process | dTTP biosynthetic process |
C | 0008168 | molecular_function | methyltransferase activity |
C | 0009165 | biological_process | nucleotide biosynthetic process |
C | 0032259 | biological_process | methylation |
C | 0050660 | molecular_function | flavin adenine dinucleotide binding |
C | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
C | 0070402 | molecular_function | NADPH binding |
D | 0004799 | molecular_function | thymidylate synthase activity |
D | 0006231 | biological_process | dTMP biosynthetic process |
D | 0006235 | biological_process | dTTP biosynthetic process |
D | 0008168 | molecular_function | methyltransferase activity |
D | 0009165 | biological_process | nucleotide biosynthetic process |
D | 0032259 | biological_process | methylation |
D | 0050660 | molecular_function | flavin adenine dinucleotide binding |
D | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
D | 0070402 | molecular_function | NADPH binding |
E | 0004799 | molecular_function | thymidylate synthase activity |
E | 0006231 | biological_process | dTMP biosynthetic process |
E | 0006235 | biological_process | dTTP biosynthetic process |
E | 0008168 | molecular_function | methyltransferase activity |
E | 0009165 | biological_process | nucleotide biosynthetic process |
E | 0032259 | biological_process | methylation |
E | 0050660 | molecular_function | flavin adenine dinucleotide binding |
E | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
E | 0070402 | molecular_function | NADPH binding |
F | 0004799 | molecular_function | thymidylate synthase activity |
F | 0006231 | biological_process | dTMP biosynthetic process |
F | 0006235 | biological_process | dTTP biosynthetic process |
F | 0008168 | molecular_function | methyltransferase activity |
F | 0009165 | biological_process | nucleotide biosynthetic process |
F | 0032259 | biological_process | methylation |
F | 0050660 | molecular_function | flavin adenine dinucleotide binding |
F | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
F | 0070402 | molecular_function | NADPH binding |
G | 0004799 | molecular_function | thymidylate synthase activity |
G | 0006231 | biological_process | dTMP biosynthetic process |
G | 0006235 | biological_process | dTTP biosynthetic process |
G | 0008168 | molecular_function | methyltransferase activity |
G | 0009165 | biological_process | nucleotide biosynthetic process |
G | 0032259 | biological_process | methylation |
G | 0050660 | molecular_function | flavin adenine dinucleotide binding |
G | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
G | 0070402 | molecular_function | NADPH binding |
H | 0004799 | molecular_function | thymidylate synthase activity |
H | 0006231 | biological_process | dTMP biosynthetic process |
H | 0006235 | biological_process | dTTP biosynthetic process |
H | 0008168 | molecular_function | methyltransferase activity |
H | 0009165 | biological_process | nucleotide biosynthetic process |
H | 0032259 | biological_process | methylation |
H | 0050660 | molecular_function | flavin adenine dinucleotide binding |
H | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
H | 0070402 | molecular_function | NADPH binding |
I | 0004799 | molecular_function | thymidylate synthase activity |
I | 0006231 | biological_process | dTMP biosynthetic process |
I | 0006235 | biological_process | dTTP biosynthetic process |
I | 0008168 | molecular_function | methyltransferase activity |
I | 0009165 | biological_process | nucleotide biosynthetic process |
I | 0032259 | biological_process | methylation |
I | 0050660 | molecular_function | flavin adenine dinucleotide binding |
I | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
I | 0070402 | molecular_function | NADPH binding |
J | 0004799 | molecular_function | thymidylate synthase activity |
J | 0006231 | biological_process | dTMP biosynthetic process |
J | 0006235 | biological_process | dTTP biosynthetic process |
J | 0008168 | molecular_function | methyltransferase activity |
J | 0009165 | biological_process | nucleotide biosynthetic process |
J | 0032259 | biological_process | methylation |
J | 0050660 | molecular_function | flavin adenine dinucleotide binding |
J | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
J | 0070402 | molecular_function | NADPH binding |
K | 0004799 | molecular_function | thymidylate synthase activity |
K | 0006231 | biological_process | dTMP biosynthetic process |
K | 0006235 | biological_process | dTTP biosynthetic process |
K | 0008168 | molecular_function | methyltransferase activity |
K | 0009165 | biological_process | nucleotide biosynthetic process |
K | 0032259 | biological_process | methylation |
K | 0050660 | molecular_function | flavin adenine dinucleotide binding |
K | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
K | 0070402 | molecular_function | NADPH binding |
L | 0004799 | molecular_function | thymidylate synthase activity |
L | 0006231 | biological_process | dTMP biosynthetic process |
L | 0006235 | biological_process | dTTP biosynthetic process |
L | 0008168 | molecular_function | methyltransferase activity |
L | 0009165 | biological_process | nucleotide biosynthetic process |
L | 0032259 | biological_process | methylation |
L | 0050660 | molecular_function | flavin adenine dinucleotide binding |
L | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
L | 0070402 | molecular_function | NADPH binding |
M | 0004799 | molecular_function | thymidylate synthase activity |
M | 0006231 | biological_process | dTMP biosynthetic process |
M | 0006235 | biological_process | dTTP biosynthetic process |
M | 0008168 | molecular_function | methyltransferase activity |
M | 0009165 | biological_process | nucleotide biosynthetic process |
M | 0032259 | biological_process | methylation |
M | 0050660 | molecular_function | flavin adenine dinucleotide binding |
M | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
M | 0070402 | molecular_function | NADPH binding |
N | 0004799 | molecular_function | thymidylate synthase activity |
N | 0006231 | biological_process | dTMP biosynthetic process |
N | 0006235 | biological_process | dTTP biosynthetic process |
N | 0008168 | molecular_function | methyltransferase activity |
N | 0009165 | biological_process | nucleotide biosynthetic process |
N | 0032259 | biological_process | methylation |
N | 0050660 | molecular_function | flavin adenine dinucleotide binding |
N | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
N | 0070402 | molecular_function | NADPH binding |
O | 0004799 | molecular_function | thymidylate synthase activity |
O | 0006231 | biological_process | dTMP biosynthetic process |
O | 0006235 | biological_process | dTTP biosynthetic process |
O | 0008168 | molecular_function | methyltransferase activity |
O | 0009165 | biological_process | nucleotide biosynthetic process |
O | 0032259 | biological_process | methylation |
O | 0050660 | molecular_function | flavin adenine dinucleotide binding |
O | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
O | 0070402 | molecular_function | NADPH binding |
P | 0004799 | molecular_function | thymidylate synthase activity |
P | 0006231 | biological_process | dTMP biosynthetic process |
P | 0006235 | biological_process | dTTP biosynthetic process |
P | 0008168 | molecular_function | methyltransferase activity |
P | 0009165 | biological_process | nucleotide biosynthetic process |
P | 0032259 | biological_process | methylation |
P | 0050660 | molecular_function | flavin adenine dinucleotide binding |
P | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
P | 0070402 | molecular_function | NADPH binding |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 25 |
Details | BINDING SITE FOR RESIDUE FAD A 301 |
Chain | Residue |
A | TRP54 |
A | ARG182 |
A | FAD302 |
A | 0VJ303 |
A | HOH402 |
A | HOH403 |
C | GLN85 |
C | GLU86 |
C | SER88 |
D | SER30 |
D | ASN31 |
A | ARG78 |
D | HIS51 |
D | HIS53 |
D | TRP54 |
D | SER55 |
D | GLU58 |
D | ARG173 |
A | HIS79 |
A | ARG80 |
A | SER81 |
A | ARG173 |
A | ASP174 |
A | HIS177 |
A | LEU181 |
site_id | AC2 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE FAD A 302 |
Chain | Residue |
A | ASN31 |
A | HIS51 |
A | HIS53 |
A | TRP54 |
A | SER55 |
A | ARG173 |
A | FAD301 |
A | HOH407 |
B | GLN85 |
B | GLU86 |
B | SER88 |
B | 0VJ303 |
D | ARG78 |
D | HIS79 |
D | ARG80 |
D | SER81 |
D | ARG173 |
D | ASP174 |
D | HIS177 |
D | ARG182 |
site_id | AC3 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE 0VJ A 303 |
Chain | Residue |
A | GLN75 |
A | ARG78 |
A | ARG182 |
A | GLY186 |
A | GLN188 |
A | FAD301 |
C | GLU86 |
C | PHE87 |
C | SER88 |
C | GLN89 |
C | ARG90 |
site_id | AC4 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE DMS A 304 |
Chain | Residue |
A | GLN85 |
A | PHE87 |
A | THR165 |
A | TYR167 |
B | VAL29 |
site_id | AC5 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE 0VJ A 305 |
Chain | Residue |
A | GLU86 |
A | PHE87 |
A | SER88 |
A | GLN89 |
A | ARG90 |
A | GLU152 |
C | GLN75 |
C | ARG78 |
C | ARG182 |
C | GLY186 |
C | GLN188 |
C | FAD301 |
site_id | AC6 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE FAD B 301 |
Chain | Residue |
B | TRP54 |
B | ARG78 |
B | HIS79 |
B | ARG80 |
B | SER81 |
B | ARG173 |
B | ASP174 |
B | HIS177 |
B | ARG182 |
C | SER30 |
C | ASN31 |
C | HIS53 |
C | TRP54 |
C | SER55 |
C | ARG173 |
C | FAD301 |
D | GLN85 |
D | GLU86 |
D | SER88 |
D | 0VJ301 |
site_id | AC7 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE DMS B 302 |
Chain | Residue |
B | GLN85 |
B | PHE87 |
B | THR165 |
B | ILE166 |
B | TYR167 |
site_id | AC8 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE 0VJ B 303 |
Chain | Residue |
B | PHE87 |
B | SER88 |
B | GLN89 |
B | ARG90 |
B | GLU152 |
D | GLN75 |
D | ARG78 |
D | ARG182 |
D | GLY186 |
D | GLN188 |
A | FAD302 |
site_id | AC9 |
Number of Residues | 19 |
Details | BINDING SITE FOR RESIDUE FAD C 301 |
Chain | Residue |
A | GLN85 |
A | GLU86 |
A | SER88 |
A | 0VJ305 |
B | SER30 |
B | HIS51 |
B | HIS53 |
B | TRP54 |
B | SER55 |
B | ARG173 |
B | FAD301 |
C | TRP54 |
C | ARG78 |
C | HIS79 |
C | ARG80 |
C | SER81 |
C | ARG173 |
C | ASP174 |
C | HIS177 |
site_id | BC1 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE DMS C 302 |
Chain | Residue |
C | GLN85 |
C | GLU86 |
C | PHE87 |
C | THR165 |
D | VAL29 |
site_id | BC2 |
Number of Residues | 13 |
Details | BINDING SITE FOR RESIDUE 0VJ D 301 |
Chain | Residue |
B | ALA74 |
B | GLN75 |
B | ARG78 |
B | ARG182 |
B | GLY186 |
B | GLN188 |
B | FAD301 |
D | GLU86 |
D | PHE87 |
D | SER88 |
D | GLN89 |
D | ARG90 |
D | GLU152 |
site_id | BC3 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE DMS D 302 |
Chain | Residue |
C | VAL29 |
C | SER30 |
D | GLN85 |
D | GLU86 |
D | PHE87 |
D | THR165 |
D | TYR167 |
site_id | BC4 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE FAD E 301 |
Chain | Residue |
E | TRP54 |
E | ARG78 |
E | HIS79 |
E | ARG80 |
E | SER81 |
E | ARG173 |
E | ASP174 |
E | HIS177 |
E | ARG182 |
E | 0VJ302 |
G | GLN85 |
G | GLU86 |
G | SER88 |
H | SER30 |
H | HIS51 |
H | HIS53 |
H | TRP54 |
H | SER55 |
H | ARG173 |
H | FAD302 |
site_id | BC5 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE 0VJ E 302 |
Chain | Residue |
E | GLN75 |
E | ARG78 |
E | ARG182 |
E | GLY186 |
E | GLN188 |
E | FAD301 |
G | GLU86 |
G | PHE87 |
G | SER88 |
G | GLN89 |
G | ARG90 |
G | GLU152 |
site_id | BC6 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE DMS E 303 |
Chain | Residue |
E | GLN85 |
E | GLU86 |
E | PHE87 |
E | THR165 |
E | TYR167 |
site_id | BC7 |
Number of Residues | 22 |
Details | BINDING SITE FOR RESIDUE FAD F 301 |
Chain | Residue |
F | ARG78 |
F | HIS79 |
F | ARG80 |
F | SER81 |
F | ARG173 |
F | ASP174 |
F | HIS177 |
F | LEU181 |
F | ARG182 |
F | FAD302 |
F | HOH412 |
G | ASN31 |
G | HIS51 |
G | HIS53 |
G | TRP54 |
G | SER55 |
G | ARG173 |
G | HOH410 |
H | GLN85 |
H | GLU86 |
H | SER88 |
H | 0VJ301 |
site_id | BC8 |
Number of Residues | 19 |
Details | BINDING SITE FOR RESIDUE FAD F 302 |
Chain | Residue |
E | GLN85 |
E | GLU86 |
F | ASN31 |
F | HIS51 |
F | HIS53 |
F | TRP54 |
F | SER55 |
F | ARG173 |
F | FAD301 |
G | TRP54 |
G | ARG78 |
G | HIS79 |
G | ARG80 |
G | SER81 |
G | ARG173 |
G | ASP174 |
G | HIS177 |
G | LEU181 |
G | 0VJ301 |
site_id | BC9 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE DMS F 303 |
Chain | Residue |
E | VAL29 |
F | GLN85 |
F | GLU86 |
F | PHE87 |
F | THR165 |
F | TYR167 |
site_id | CC1 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE 0VJ F 304 |
Chain | Residue |
F | GLU86 |
F | PHE87 |
F | SER88 |
F | GLN89 |
F | ARG90 |
F | GLU152 |
H | GLN75 |
H | ARG182 |
H | GLY186 |
H | GLN188 |
H | FAD302 |
site_id | CC2 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE 0VJ G 301 |
Chain | Residue |
E | GLU86 |
E | PHE87 |
E | SER88 |
E | GLN89 |
E | ARG90 |
F | FAD302 |
G | GLN75 |
G | ARG78 |
G | ARG182 |
G | GLY186 |
G | GLN188 |
site_id | CC3 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE DMS G 302 |
Chain | Residue |
G | GLN85 |
G | THR165 |
H | VAL29 |
site_id | CC4 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE 0VJ H 301 |
Chain | Residue |
F | GLN75 |
F | ARG78 |
F | ARG182 |
F | GLY186 |
F | GLN188 |
F | FAD301 |
H | GLU86 |
H | PHE87 |
H | SER88 |
H | GLN89 |
H | ARG90 |
H | GLU152 |
site_id | CC5 |
Number of Residues | 23 |
Details | BINDING SITE FOR RESIDUE FAD H 302 |
Chain | Residue |
E | SER30 |
E | ASN31 |
E | HIS51 |
E | HIS53 |
E | TRP54 |
E | SER55 |
E | ARG173 |
E | FAD301 |
F | GLN85 |
F | GLU86 |
F | SER88 |
F | 0VJ304 |
H | TRP54 |
H | ARG78 |
H | HIS79 |
H | ARG80 |
H | SER81 |
H | ARG173 |
H | ASP174 |
H | HIS177 |
H | LEU181 |
H | ARG182 |
H | HOH405 |
site_id | CC6 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE DMS H 303 |
Chain | Residue |
H | GLN85 |
H | PHE87 |
H | THR165 |
H | TYR167 |
site_id | CC7 |
Number of Residues | 22 |
Details | BINDING SITE FOR RESIDUE FAD I 301 |
Chain | Residue |
I | TRP54 |
I | ARG78 |
I | HIS79 |
I | ARG80 |
I | SER81 |
I | ARG173 |
I | ASP174 |
I | HIS177 |
I | ARG182 |
I | FAD302 |
I | HOH402 |
K | GLN85 |
K | GLU86 |
K | SER88 |
K | 0VJ301 |
L | ASN31 |
L | HIS51 |
L | HIS53 |
L | TRP54 |
L | SER55 |
L | ARG173 |
L | HOH401 |
site_id | CC8 |
Number of Residues | 21 |
Details | BINDING SITE FOR RESIDUE FAD I 302 |
Chain | Residue |
I | SER30 |
I | HIS51 |
I | HIS53 |
I | TRP54 |
I | SER55 |
I | ARG173 |
I | FAD301 |
J | GLN85 |
J | GLU86 |
J | SER88 |
L | TRP54 |
L | ARG78 |
L | HIS79 |
L | ARG80 |
L | SER81 |
L | ARG173 |
L | ASP174 |
L | HIS177 |
L | ARG182 |
L | 0VJ301 |
L | HOH406 |
site_id | CC9 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE DMS I 303 |
Chain | Residue |
I | GLN85 |
I | THR165 |
I | ILE166 |
I | TYR167 |
J | VAL29 |
site_id | DC1 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE 0VJ I 304 |
Chain | Residue |
I | GLU86 |
I | PHE87 |
I | SER88 |
I | GLN89 |
I | ARG90 |
I | GLU152 |
K | ARG78 |
K | ARG182 |
K | GLY186 |
K | GLN188 |
K | FAD302 |
site_id | DC2 |
Number of Residues | 22 |
Details | BINDING SITE FOR RESIDUE FAD J 301 |
Chain | Residue |
J | TRP54 |
J | ARG78 |
J | HIS79 |
J | ARG80 |
J | SER81 |
J | ARG173 |
J | ASP174 |
J | HIS177 |
J | LEU181 |
J | ARG182 |
J | 0VJ302 |
K | ASN31 |
K | HIS51 |
K | LYS52 |
K | HIS53 |
K | TRP54 |
K | SER55 |
K | ARG173 |
K | FAD302 |
L | GLN85 |
L | GLU86 |
L | SER88 |
site_id | DC3 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE 0VJ J 302 |
Chain | Residue |
J | GLN75 |
J | ARG78 |
J | ARG182 |
J | GLY186 |
J | GLN188 |
J | FAD301 |
L | GLU86 |
L | PHE87 |
L | SER88 |
L | GLN89 |
L | ARG90 |
L | GLU152 |
site_id | DC4 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE 0VJ K 301 |
Chain | Residue |
I | ARG78 |
I | ARG182 |
I | GLY186 |
I | GLN188 |
I | FAD301 |
K | GLU86 |
K | PHE87 |
K | SER88 |
K | GLN89 |
K | ARG90 |
K | GLU152 |
site_id | DC5 |
Number of Residues | 21 |
Details | BINDING SITE FOR RESIDUE FAD K 302 |
Chain | Residue |
I | GLN85 |
I | GLU86 |
I | SER88 |
I | 0VJ304 |
J | SER30 |
J | HIS51 |
J | HIS53 |
J | TRP54 |
J | SER55 |
J | ARG173 |
J | FAD301 |
J | HOH405 |
K | TRP54 |
K | ARG78 |
K | HIS79 |
K | ARG80 |
K | SER81 |
K | ARG173 |
K | ASP174 |
K | HIS177 |
K | ARG182 |
site_id | DC6 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE DMS K 303 |
Chain | Residue |
K | GLN85 |
K | GLU86 |
K | PHE87 |
K | THR165 |
K | TYR167 |
L | SER30 |
site_id | DC7 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE 0VJ L 301 |
Chain | Residue |
I | FAD302 |
J | GLU86 |
J | PHE87 |
J | SER88 |
J | GLN89 |
J | ARG90 |
J | GLU152 |
L | GLN75 |
L | ARG78 |
L | ARG182 |
L | GLY186 |
L | GLN188 |
site_id | DC8 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE FAD M 301 |
Chain | Residue |
M | TRP54 |
M | ARG78 |
M | HIS79 |
M | ARG80 |
M | SER81 |
M | ARG173 |
M | ASP174 |
M | HIS177 |
M | ARG182 |
O | GLN85 |
O | GLU86 |
O | SER88 |
O | 0VJ301 |
P | ASN31 |
P | HIS51 |
P | HIS53 |
P | TRP54 |
P | SER55 |
P | ARG173 |
P | FAD301 |
site_id | DC9 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE DMS M 302 |
Chain | Residue |
M | GLN85 |
M | GLU86 |
M | THR165 |
M | ILE166 |
M | TYR167 |
site_id | EC1 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE 0VJ M 303 |
Chain | Residue |
M | GLU86 |
M | PHE87 |
M | SER88 |
M | GLN89 |
M | ARG90 |
M | GLU152 |
O | GLN75 |
O | ARG78 |
O | ARG182 |
O | GLY186 |
O | GLN188 |
O | FAD302 |
site_id | EC2 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE FAD N 301 |
Chain | Residue |
N | TRP54 |
N | ARG78 |
N | HIS79 |
N | ARG80 |
N | SER81 |
N | ARG173 |
N | ASP174 |
N | HIS177 |
N | LEU181 |
N | 0VJ302 |
O | ASN31 |
O | HIS51 |
O | HIS53 |
O | TRP54 |
O | SER55 |
O | ARG173 |
O | FAD302 |
P | GLN85 |
P | GLU86 |
P | SER88 |
site_id | EC3 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE 0VJ N 302 |
Chain | Residue |
N | GLN75 |
N | ARG78 |
N | ARG182 |
N | GLY186 |
N | GLN188 |
N | FAD301 |
P | GLU86 |
P | PHE87 |
P | SER88 |
P | GLN89 |
P | ARG90 |
P | GLU152 |
site_id | EC4 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE 0VJ O 301 |
Chain | Residue |
M | GLN75 |
M | ARG78 |
M | ARG182 |
M | GLY186 |
M | GLN188 |
M | FAD301 |
O | GLU86 |
O | PHE87 |
O | SER88 |
O | GLN89 |
O | ARG90 |
O | GLU152 |
site_id | EC5 |
Number of Residues | 19 |
Details | BINDING SITE FOR RESIDUE FAD O 302 |
Chain | Residue |
M | GLN85 |
M | GLU86 |
M | SER88 |
M | 0VJ303 |
N | SER30 |
N | HIS51 |
N | HIS53 |
N | TRP54 |
N | SER55 |
N | ARG173 |
N | FAD301 |
O | ARG78 |
O | HIS79 |
O | SER81 |
O | ARG173 |
O | ASP174 |
O | HIS177 |
O | LEU181 |
O | ARG182 |
site_id | EC6 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE DMS O 303 |
Chain | Residue |
O | GLN85 |
O | PHE87 |
O | THR165 |
O | TYR167 |
P | VAL29 |
P | SER30 |
site_id | EC7 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE FAD P 301 |
Chain | Residue |
M | SER30 |
M | HIS51 |
M | HIS53 |
M | TRP54 |
M | SER55 |
M | ARG173 |
M | FAD301 |
N | GLN85 |
N | GLU86 |
N | SER88 |
P | TRP54 |
P | ARG78 |
P | HIS79 |
P | ARG80 |
P | SER81 |
P | ARG173 |
P | ASP174 |
P | HIS177 |
P | ARG182 |
P | 0VJ302 |
site_id | EC8 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE 0VJ P 302 |
Chain | Residue |
N | GLU86 |
N | PHE87 |
N | SER88 |
N | GLN89 |
N | ARG90 |
N | GLU152 |
P | GLN75 |
P | ARG78 |
P | ARG182 |
P | GLY186 |
P | GLN188 |
P | FAD301 |
site_id | EC9 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE DMS P 303 |
Chain | Residue |
O | SER30 |
P | GLN85 |
P | PHE87 |
P | THR165 |
P | TYR167 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 16 |
Details | ACT_SITE: Involved in ionization of N3 of dUMP, leading to its activation => ECO:0000250|UniProtKB:Q9WYT0 |
Chain | Residue | Details |
A | ARG182 | |
J | ARG182 | |
K | ARG182 | |
L | ARG182 | |
M | ARG182 | |
N | ARG182 | |
O | ARG182 | |
P | ARG182 | |
B | ARG182 | |
C | ARG182 | |
D | ARG182 | |
E | ARG182 | |
F | ARG182 | |
G | ARG182 | |
H | ARG182 | |
I | ARG182 |
site_id | SWS_FT_FI2 |
Number of Residues | 96 |
Details | BINDING: BINDING => ECO:0000250|UniProtKB:Q9WYT0 |
Chain | Residue | Details |
A | SER55 | |
B | GLU86 | |
B | HIS177 | |
B | ARG182 | |
C | SER55 | |
C | GLN75 | |
C | ARG78 | |
C | GLU86 | |
C | HIS177 | |
C | ARG182 | |
D | SER55 | |
A | GLN75 | |
D | GLN75 | |
D | ARG78 | |
D | GLU86 | |
D | HIS177 | |
D | ARG182 | |
E | SER55 | |
E | GLN75 | |
E | ARG78 | |
E | GLU86 | |
E | HIS177 | |
A | ARG78 | |
E | ARG182 | |
F | SER55 | |
F | GLN75 | |
F | ARG78 | |
F | GLU86 | |
F | HIS177 | |
F | ARG182 | |
G | SER55 | |
G | GLN75 | |
G | ARG78 | |
A | GLU86 | |
G | GLU86 | |
G | HIS177 | |
G | ARG182 | |
H | SER55 | |
H | GLN75 | |
H | ARG78 | |
H | GLU86 | |
H | HIS177 | |
H | ARG182 | |
I | SER55 | |
A | HIS177 | |
I | GLN75 | |
I | ARG78 | |
I | GLU86 | |
I | HIS177 | |
I | ARG182 | |
J | SER55 | |
J | GLN75 | |
J | ARG78 | |
J | GLU86 | |
J | HIS177 | |
A | ARG182 | |
J | ARG182 | |
K | SER55 | |
K | GLN75 | |
K | ARG78 | |
K | GLU86 | |
K | HIS177 | |
K | ARG182 | |
L | SER55 | |
L | GLN75 | |
L | ARG78 | |
B | SER55 | |
L | GLU86 | |
L | HIS177 | |
L | ARG182 | |
M | SER55 | |
M | GLN75 | |
M | ARG78 | |
M | GLU86 | |
M | HIS177 | |
M | ARG182 | |
N | SER55 | |
B | GLN75 | |
N | GLN75 | |
N | ARG78 | |
N | GLU86 | |
N | HIS177 | |
N | ARG182 | |
O | SER55 | |
O | GLN75 | |
O | ARG78 | |
O | GLU86 | |
O | HIS177 | |
B | ARG78 | |
O | ARG182 | |
P | SER55 | |
P | GLN75 | |
P | ARG78 | |
P | GLU86 | |
P | HIS177 | |
P | ARG182 |
site_id | SWS_FT_FI3 |
Number of Residues | 16 |
Details | BINDING: in other chain => ECO:0000250|UniProtKB:Q9WYT0 |
Chain | Residue | Details |
A | ARG155 | |
J | ARG155 | |
K | ARG155 | |
L | ARG155 | |
M | ARG155 | |
N | ARG155 | |
O | ARG155 | |
P | ARG155 | |
B | ARG155 | |
C | ARG155 | |
D | ARG155 | |
E | ARG155 | |
F | ARG155 | |
G | ARG155 | |
H | ARG155 | |
I | ARG155 |