4OOE
M. tuberculosis 1-deoxy-d-xylulose-5-phosphate reductoisomerase W203Y mutant bound to fosmidomycin and NADPH
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0000287 | molecular_function | magnesium ion binding |
A | 0008299 | biological_process | isoprenoid biosynthetic process |
A | 0016491 | molecular_function | oxidoreductase activity |
A | 0019288 | biological_process | isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway |
A | 0030145 | molecular_function | manganese ion binding |
A | 0030604 | molecular_function | 1-deoxy-D-xylulose-5-phosphate reductoisomerase activity |
A | 0046872 | molecular_function | metal ion binding |
A | 0050897 | molecular_function | cobalt ion binding |
A | 0051483 | biological_process | terpenoid biosynthetic process, mevalonate-independent |
A | 0051484 | biological_process | isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway involved in terpenoid biosynthetic process |
A | 0070402 | molecular_function | NADPH binding |
B | 0000287 | molecular_function | magnesium ion binding |
B | 0008299 | biological_process | isoprenoid biosynthetic process |
B | 0016491 | molecular_function | oxidoreductase activity |
B | 0019288 | biological_process | isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway |
B | 0030145 | molecular_function | manganese ion binding |
B | 0030604 | molecular_function | 1-deoxy-D-xylulose-5-phosphate reductoisomerase activity |
B | 0046872 | molecular_function | metal ion binding |
B | 0050897 | molecular_function | cobalt ion binding |
B | 0051483 | biological_process | terpenoid biosynthetic process, mevalonate-independent |
B | 0051484 | biological_process | isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway involved in terpenoid biosynthetic process |
B | 0070402 | molecular_function | NADPH binding |
C | 0000287 | molecular_function | magnesium ion binding |
C | 0008299 | biological_process | isoprenoid biosynthetic process |
C | 0016491 | molecular_function | oxidoreductase activity |
C | 0019288 | biological_process | isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway |
C | 0030145 | molecular_function | manganese ion binding |
C | 0030604 | molecular_function | 1-deoxy-D-xylulose-5-phosphate reductoisomerase activity |
C | 0046872 | molecular_function | metal ion binding |
C | 0050897 | molecular_function | cobalt ion binding |
C | 0051483 | biological_process | terpenoid biosynthetic process, mevalonate-independent |
C | 0051484 | biological_process | isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway involved in terpenoid biosynthetic process |
C | 0070402 | molecular_function | NADPH binding |
D | 0000287 | molecular_function | magnesium ion binding |
D | 0008299 | biological_process | isoprenoid biosynthetic process |
D | 0016491 | molecular_function | oxidoreductase activity |
D | 0019288 | biological_process | isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway |
D | 0030145 | molecular_function | manganese ion binding |
D | 0030604 | molecular_function | 1-deoxy-D-xylulose-5-phosphate reductoisomerase activity |
D | 0046872 | molecular_function | metal ion binding |
D | 0050897 | molecular_function | cobalt ion binding |
D | 0051483 | biological_process | terpenoid biosynthetic process, mevalonate-independent |
D | 0051484 | biological_process | isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway involved in terpenoid biosynthetic process |
D | 0070402 | molecular_function | NADPH binding |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 17 |
Details | BINDING SITE FOR RESIDUE FOM A 500 |
Chain | Residue |
A | ASP151 |
A | ASN218 |
A | LYS219 |
A | GLU222 |
A | MN501 |
A | NDP502 |
A | HOH610 |
A | HOH612 |
A | HOH614 |
A | SER152 |
A | GLU153 |
A | ALA176 |
A | SER177 |
A | HIS200 |
A | TYR203 |
A | MET205 |
A | SER213 |
site_id | AC2 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE MN A 501 |
Chain | Residue |
A | ASP151 |
A | GLU153 |
A | GLU222 |
A | FOM500 |
site_id | AC3 |
Number of Residues | 39 |
Details | BINDING SITE FOR RESIDUE NDP A 502 |
Chain | Residue |
A | GLY19 |
A | THR21 |
A | GLY22 |
A | SER23 |
A | ILE24 |
A | ALA46 |
A | GLY47 |
A | GLY48 |
A | ALA49 |
A | HIS50 |
A | ALA69 |
A | ALA103 |
A | LEU104 |
A | VAL105 |
A | LEU108 |
A | ALA126 |
A | ASN127 |
A | LYS128 |
A | GLU129 |
A | ASP151 |
A | MET205 |
A | GLY206 |
A | ASN209 |
A | MET267 |
A | FOM500 |
A | HOH603 |
A | HOH622 |
A | HOH632 |
A | HOH634 |
A | HOH636 |
A | HOH637 |
A | HOH643 |
A | HOH661 |
A | HOH665 |
A | HOH697 |
A | HOH710 |
A | HOH742 |
A | HOH755 |
A | HOH793 |
site_id | AC4 |
Number of Residues | 17 |
Details | BINDING SITE FOR RESIDUE FOM B 500 |
Chain | Residue |
B | ASP151 |
B | SER152 |
B | GLU153 |
B | ALA176 |
B | SER177 |
B | HIS200 |
B | TYR203 |
B | MET205 |
B | SER213 |
B | ASN218 |
B | LYS219 |
B | GLU222 |
B | MN501 |
B | NDP502 |
B | HOH602 |
B | HOH628 |
B | HOH634 |
site_id | AC5 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE MN B 501 |
Chain | Residue |
B | ASP151 |
B | GLU153 |
B | GLU222 |
B | FOM500 |
site_id | AC6 |
Number of Residues | 36 |
Details | BINDING SITE FOR RESIDUE NDP B 502 |
Chain | Residue |
B | MET205 |
B | GLY206 |
B | ASN209 |
B | MET267 |
B | FOM500 |
B | HOH610 |
B | HOH630 |
B | HOH632 |
B | HOH636 |
B | HOH643 |
B | HOH654 |
B | HOH673 |
B | HOH742 |
B | HOH779 |
B | HOH823 |
B | HOH840 |
B | HOH872 |
B | HOH927 |
B | GLY19 |
B | THR21 |
B | GLY22 |
B | SER23 |
B | ILE24 |
B | ALA46 |
B | GLY47 |
B | GLY48 |
B | ALA49 |
B | HIS50 |
B | ALA69 |
B | ALA103 |
B | LEU104 |
B | ALA126 |
B | ASN127 |
B | LYS128 |
B | GLU129 |
B | ASP151 |
site_id | AC7 |
Number of Residues | 17 |
Details | BINDING SITE FOR RESIDUE FOM C 500 |
Chain | Residue |
C | ASP151 |
C | SER152 |
C | GLU153 |
C | ALA176 |
C | SER177 |
C | HIS200 |
C | TYR203 |
C | SER213 |
C | ASN218 |
C | LYS219 |
C | GLU222 |
C | MET267 |
C | MN501 |
C | NDP502 |
C | HOH603 |
C | HOH615 |
C | HOH631 |
site_id | AC8 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE MN C 501 |
Chain | Residue |
C | LYS128 |
C | ASP151 |
C | GLU153 |
C | GLU222 |
C | FOM500 |
site_id | AC9 |
Number of Residues | 37 |
Details | BINDING SITE FOR RESIDUE NDP C 502 |
Chain | Residue |
C | GLY19 |
C | THR21 |
C | GLY22 |
C | SER23 |
C | ILE24 |
C | ALA46 |
C | GLY47 |
C | GLY48 |
C | ALA49 |
C | HIS50 |
C | ALA69 |
C | ALA103 |
C | LEU104 |
C | LEU108 |
C | ALA126 |
C | ASN127 |
C | LYS128 |
C | GLU129 |
C | ASP151 |
C | MET205 |
C | GLY206 |
C | PRO207 |
C | ASN209 |
C | MET267 |
C | FOM500 |
C | HOH613 |
C | HOH625 |
C | HOH632 |
C | HOH634 |
C | HOH647 |
C | HOH651 |
C | HOH655 |
C | HOH680 |
C | HOH801 |
C | HOH804 |
C | HOH840 |
C | HOH940 |
site_id | BC1 |
Number of Residues | 18 |
Details | BINDING SITE FOR RESIDUE FOM D 500 |
Chain | Residue |
D | LYS128 |
D | ASP151 |
D | SER152 |
D | GLU153 |
D | ALA176 |
D | SER177 |
D | HIS200 |
D | TYR203 |
D | MET205 |
D | SER213 |
D | ASN218 |
D | LYS219 |
D | GLU222 |
D | MN501 |
D | NDP502 |
D | HOH610 |
D | HOH613 |
D | HOH636 |
site_id | BC2 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE MN D 501 |
Chain | Residue |
D | ASP151 |
D | GLU153 |
D | GLU222 |
D | FOM500 |
site_id | BC3 |
Number of Residues | 37 |
Details | BINDING SITE FOR RESIDUE NDP D 502 |
Chain | Residue |
D | GLY19 |
D | THR21 |
D | GLY22 |
D | SER23 |
D | ILE24 |
D | ALA46 |
D | GLY47 |
D | GLY48 |
D | ALA49 |
D | HIS50 |
D | ALA69 |
D | ALA103 |
D | LEU104 |
D | ALA126 |
D | ASN127 |
D | LYS128 |
D | GLU129 |
D | ASP151 |
D | MET205 |
D | GLY206 |
D | ASN209 |
D | MET267 |
D | FOM500 |
D | HOH614 |
D | HOH615 |
D | HOH622 |
D | HOH643 |
D | HOH647 |
D | HOH681 |
D | HOH719 |
D | HOH752 |
D | HOH765 |
D | HOH863 |
D | HOH881 |
D | HOH888 |
D | HOH898 |
D | HOH947 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 72 |
Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00183 |
Chain | Residue | Details |
A | THR21 | |
A | SER152 | |
A | GLU153 | |
A | SER177 | |
A | HIS200 | |
A | GLY206 | |
A | SER213 | |
A | ASN218 | |
A | LYS219 | |
A | GLU222 | |
B | THR21 | |
A | GLY22 | |
B | GLY22 | |
B | SER23 | |
B | ILE24 | |
B | GLY47 | |
B | ASN127 | |
B | LYS128 | |
B | GLU129 | |
B | ASP151 | |
B | SER152 | |
B | GLU153 | |
A | SER23 | |
B | SER177 | |
B | HIS200 | |
B | GLY206 | |
B | SER213 | |
B | ASN218 | |
B | LYS219 | |
B | GLU222 | |
C | THR21 | |
C | GLY22 | |
C | SER23 | |
A | ILE24 | |
C | ILE24 | |
C | GLY47 | |
C | ASN127 | |
C | LYS128 | |
C | GLU129 | |
C | ASP151 | |
C | SER152 | |
C | GLU153 | |
C | SER177 | |
C | HIS200 | |
A | GLY47 | |
C | GLY206 | |
C | SER213 | |
C | ASN218 | |
C | LYS219 | |
C | GLU222 | |
D | THR21 | |
D | GLY22 | |
D | SER23 | |
D | ILE24 | |
D | GLY47 | |
A | ASN127 | |
D | ASN127 | |
D | LYS128 | |
D | GLU129 | |
D | ASP151 | |
D | SER152 | |
D | GLU153 | |
D | SER177 | |
D | HIS200 | |
D | GLY206 | |
D | SER213 | |
A | LYS128 | |
D | ASN218 | |
D | LYS219 | |
D | GLU222 | |
A | GLU129 | |
A | ASP151 |