3ZGN
Crystal structures of Escherichia coli IspH in complex with TMBPP a potent inhibitor of the methylerythritol phosphate pathway
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005829 | cellular_component | cytosol |
| 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 | 0042380 | molecular_function | hydroxymethylbutenyl pyrophosphate reductase activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0050992 | biological_process | dimethylallyl diphosphate biosynthetic process |
| A | 0051538 | molecular_function | 3 iron, 4 sulfur cluster binding |
| A | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| A | 0051745 | molecular_function | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase activity |
| B | 0005829 | cellular_component | cytosol |
| 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 | 0042380 | molecular_function | hydroxymethylbutenyl pyrophosphate reductase activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0050992 | biological_process | dimethylallyl diphosphate biosynthetic process |
| B | 0051538 | molecular_function | 3 iron, 4 sulfur cluster binding |
| B | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| B | 0051745 | molecular_function | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SF4 B 1310 |
| Chain | Residue |
| B | CYS12 |
| B | GLY14 |
| B | CYS96 |
| B | THR167 |
| B | CYS197 |
| B | 10G1311 |
| site_id | AC2 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE 10G A 1310 |
| Chain | Residue |
| A | ALA73 |
| A | HIS74 |
| A | VAL99 |
| A | HIS124 |
| A | THR167 |
| A | THR168 |
| A | ASN224 |
| A | SER225 |
| A | SER226 |
| A | ASN227 |
| A | SER269 |
| A | SF41311 |
| A | HOH2114 |
| A | VAL15 |
| A | VAL40 |
| A | HIS41 |
| site_id | AC3 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE 10G B 1311 |
| Chain | Residue |
| B | VAL15 |
| B | VAL40 |
| B | HIS41 |
| B | ALA73 |
| B | HIS74 |
| B | VAL99 |
| B | HIS124 |
| B | THR167 |
| B | THR168 |
| B | SER225 |
| B | SER226 |
| B | ASN227 |
| B | SER269 |
| B | SF41310 |
| B | HOH2119 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SF4 A 1311 |
| Chain | Residue |
| A | CYS12 |
| A | GLY14 |
| A | CYS96 |
| A | THR167 |
| A | CYS197 |
| A | 10G1310 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton donor => ECO:0000305|PubMed:22137895, ECO:0000305|PubMed:22687151 |
| Chain | Residue | Details |
| A | GLU126 | |
| B | GLU126 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:20080550, ECO:0000269|PubMed:22137895, ECO:0000269|PubMed:22687151, ECO:0000269|PubMed:22948824, ECO:0000269|PubMed:23307751, ECO:0007744|PDB:3KE8, ECO:0007744|PDB:3SZL, ECO:0007744|PDB:3URK, ECO:0007744|PDB:4EB3, ECO:0007744|PDB:4H4C |
| Chain | Residue | Details |
| A | CYS12 | |
| A | CYS96 | |
| A | CYS197 | |
| B | CYS12 | |
| B | CYS96 | |
| B | CYS197 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 14 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:20080550, ECO:0007744|PDB:3KEM |
| Chain | Residue | Details |
| A | HIS41 | |
| B | HIS124 | |
| B | SER225 | |
| B | SER226 | |
| B | ASN227 | |
| B | SER269 | |
| A | HIS74 | |
| A | HIS124 | |
| A | SER225 | |
| A | SER226 | |
| A | ASN227 | |
| A | SER269 | |
| B | HIS41 | |
| B | HIS74 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:20080550, ECO:0000269|PubMed:22137895, ECO:0000305|PubMed:22687151, ECO:0007744|PDB:3KE8, ECO:0007744|PDB:3SZL, ECO:0007744|PDB:4EB3 |
| Chain | Residue | Details |
| A | THR167 | |
| B | THR167 |
