3A06
Crystal structure of DXR from Thermooga maritia, in complex with fosmidomycin and NADPH
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0008299 | biological_process | isoprenoid biosynthetic process |
| A | 0016114 | biological_process | terpenoid 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 | 0051484 | biological_process | isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway involved in terpenoid biosynthetic process |
| A | 0070402 | molecular_function | NADPH binding |
| B | 0008299 | biological_process | isoprenoid biosynthetic process |
| B | 0016114 | biological_process | terpenoid 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 | 0051484 | biological_process | isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway involved in terpenoid biosynthetic process |
| B | 0070402 | molecular_function | NADPH binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE NDP A 3001 |
| Chain | Residue |
| A | GLY10 |
| A | ALA92 |
| A | VAL93 |
| A | SER94 |
| A | SER97 |
| A | ALA115 |
| A | ASN116 |
| A | LYS117 |
| A | GLU118 |
| A | MET192 |
| A | ILE196 |
| A | THR12 |
| A | HOH378 |
| A | HOH380 |
| A | HOH414 |
| A | HOH420 |
| A | HOH603 |
| A | GLY13 |
| A | SER14 |
| A | ILE15 |
| A | HIS37 |
| A | SER38 |
| A | ASN39 |
| A | THR58 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE NDP A 3003 |
| Chain | Residue |
| A | LYS24 |
| A | ILE29 |
| A | ARG30 |
| A | LEU31 |
| A | PHE50 |
| A | HOH393 |
| B | LYS45 |
| B | LYS48 |
| B | HOH412 |
| site_id | AC3 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE FOM A 900 |
| Chain | Residue |
| A | GLU144 |
| A | ALA163 |
| A | SER164 |
| A | TRP190 |
| A | SER200 |
| A | ASN205 |
| A | LYS206 |
| A | HOH431 |
| A | HOH602 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 500 |
| Chain | Residue |
| A | ASP142 |
| A | GLU144 |
| A | GLU209 |
| A | HOH601 |
| A | HOH602 |
| A | HOH603 |
| site_id | AC5 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE NDP B 3002 |
| Chain | Residue |
| B | GLY10 |
| B | THR12 |
| B | GLY13 |
| B | SER14 |
| B | ILE15 |
| B | HIS37 |
| B | SER38 |
| B | ASN39 |
| B | THR58 |
| B | ALA92 |
| B | VAL93 |
| B | SER94 |
| B | SER97 |
| B | ALA115 |
| B | ASN116 |
| B | LYS117 |
| B | GLU118 |
| B | ASP142 |
| B | ILE196 |
| B | MET254 |
| B | HOH385 |
| B | HOH407 |
| B | HOH424 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE FOM B 901 |
| Chain | Residue |
| B | ALA163 |
| B | SER164 |
| B | TRP190 |
| B | SER200 |
| B | ASN205 |
| B | LYS206 |
| B | HOH440 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG B 501 |
| Chain | Residue |
| B | ASP142 |
| B | GLU144 |
| B | GLU209 |
| B | HOH380 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 36 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00183 |
| Chain | Residue | Details |
| A | THR12 | |
| A | SER143 | |
| A | GLU144 | |
| A | SER164 | |
| A | HIS187 | |
| A | GLY193 | |
| A | SER200 | |
| A | ASN205 | |
| A | LYS206 | |
| A | GLU209 | |
| B | THR12 | |
| A | GLY13 | |
| B | GLY13 | |
| B | SER14 | |
| B | ILE15 | |
| B | ASN39 | |
| B | ASN116 | |
| B | LYS117 | |
| B | GLU118 | |
| B | ASP142 | |
| B | SER143 | |
| B | GLU144 | |
| A | SER14 | |
| B | SER164 | |
| B | HIS187 | |
| B | GLY193 | |
| B | SER200 | |
| B | ASN205 | |
| B | LYS206 | |
| B | GLU209 | |
| A | ILE15 | |
| A | ASN39 | |
| A | ASN116 | |
| A | LYS117 | |
| A | GLU118 | |
| A | ASP142 |
