2Y1F
X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted fosmidomycin analogue, manganese and NADPH.
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0008299 | biological_process | isoprenoid biosynthetic process |
A | 0030604 | molecular_function | 1-deoxy-D-xylulose-5-phosphate reductoisomerase activity |
A | 0046872 | molecular_function | metal ion binding |
A | 0070402 | molecular_function | NADPH binding |
B | 0008299 | biological_process | isoprenoid biosynthetic process |
B | 0030604 | molecular_function | 1-deoxy-D-xylulose-5-phosphate reductoisomerase activity |
B | 0046872 | molecular_function | metal ion binding |
B | 0070402 | molecular_function | NADPH binding |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 17 |
Details | BINDING SITE FOR RESIDUE 34F A 1390 |
Chain | Residue |
A | LYS128 |
A | GLU222 |
A | SER245 |
A | PRO265 |
A | NDP1391 |
A | MN1392 |
A | HOH2119 |
A | HOH2158 |
A | HOH2236 |
A | ASP151 |
A | SER152 |
A | GLU153 |
A | ALA176 |
A | SER177 |
A | SER213 |
A | ASN218 |
A | LYS219 |
site_id | AC2 |
Number of Residues | 29 |
Details | BINDING SITE FOR RESIDUE NDP A 1391 |
Chain | Residue |
A | GLY19 |
A | THR21 |
A | GLY22 |
A | SER23 |
A | ILE24 |
A | GLY47 |
A | GLY48 |
A | ALA49 |
A | HIS50 |
A | ALA69 |
A | ALA103 |
A | LEU104 |
A | LEU108 |
A | ALA126 |
A | ASN127 |
A | LYS128 |
A | GLU129 |
A | ASP151 |
A | MET205 |
A | GLY206 |
A | ASN209 |
A | MET267 |
A | 34F1390 |
A | HOH2001 |
A | HOH2237 |
A | HOH2238 |
A | HOH2239 |
A | HOH2240 |
A | HOH2241 |
site_id | AC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE MN A 1392 |
Chain | Residue |
A | LYS128 |
A | ASP151 |
A | GLU153 |
A | GLU222 |
A | 34F1390 |
site_id | AC4 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 A 1393 |
Chain | Residue |
A | ARG162 |
A | TRP277 |
A | PRO278 |
A | HOH2106 |
site_id | AC5 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE MN B 1390 |
Chain | Residue |
B | ASP151 |
B | GLU153 |
B | GLU222 |
B | HOH2246 |
B | HOH2247 |
B | HOH2248 |
site_id | AC6 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE SO4 B 1391 |
Chain | Residue |
B | ALA176 |
B | SER177 |
B | SER213 |
B | ASN218 |
B | LYS219 |
B | HOH2248 |
B | HOH2249 |
B | HOH2250 |
B | HOH2251 |
site_id | AC7 |
Number of Residues | 23 |
Details | BINDING SITE FOR RESIDUE NDP B 1392 |
Chain | Residue |
B | GLY19 |
B | SER20 |
B | THR21 |
B | GLY22 |
B | SER23 |
B | ILE24 |
B | GLY47 |
B | GLY48 |
B | ALA49 |
B | HIS50 |
B | ALA69 |
B | ALA103 |
B | LEU104 |
B | VAL105 |
B | LEU108 |
B | ALA126 |
B | ASN127 |
B | LYS128 |
B | ASP151 |
B | SER204 |
B | HOH2096 |
B | HOH2252 |
B | HOH2253 |