Structure of PDB 1q90 Chain D Binding Site BS01 |
|
|
|
| Ligand ID | HEC |
| InChI | InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-; |
| InChIKey | HXQIYSLZKNYNMH-LJNAALQVSA-N |
| SMILES | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=C(O)CCC1=C(C2=CC6=C(C(=C/C)\C5=CC4=C(C(\C3=Cc7c(c(c8C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=C/C)C)C)C | | OpenEye OEToolkits 1.5.0 | CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C | | CACTVS 3.341 | C\C=C1/C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)\C7=C/C)C=C1N2[Fe@@]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C | | CACTVS 3.341 | CC=C1C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)C7=CC)C=C1N2[Fe]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C |
|
| Formula | C34 H34 Fe N4 O4 |
| Name | HEME C |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 1q90 Chain B Residue 903
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
| Catalytic site (original residue number in PDB) |
E78 |
| Catalytic site (residue number reindexed from 1) |
E75 |
| Enzyme Commision number |
? |
|
|
Molecular Function |
| GO:0008121 |
ubiquinol-cytochrome-c reductase activity |
| GO:0009055 |
electron transfer activity |
| GO:0016491 |
oxidoreductase activity |
| GO:0045156 |
electron transporter, transferring electrons within the cyclic electron transport pathway of photosynthesis activity |
| GO:0045158 |
electron transporter, transferring electrons within cytochrome b6/f complex of photosystem II activity |
|
|
|
