PDB ID: pdb_00004xry
- Human Cytochrome P450 2D6 BACE1 Inhibitor 5 Complex
- Experimental method: X-RAY DIFFRACTION
- Resolution: 2.5 Å
- Deposition date: 2015-01-21
Number of assemblies: 4
| Structural data | modeled |
|---|---|
| Oligomeric count | 1 |
| label_asym_ids of protein | |
| label_asym_ids of heme | |
| label_asym_ids of the others |
F (SI5  SI5
), G (ZN ZN
), H (ZNZN
), I (ZNZN
), J (ZNZN
)
|
Each chain information
| auth_asym_id | A |
|---|---|
| Residue indices (Uniprot) | 31-497 (34-497) |
| Mutations (UniProt numbering) | |
| Missing residues | 51PHE-53ASN |
| Structural gaps | Exists |
| Uniprot ID | P10635 ￫UniprotKB |
| label_asym_ids of heme | E |
| Available structure | PDB and Modeled |
| RMSD of experimental residues after energy minimization | 0.12 Å |
| Structural data | modeled |
|---|---|
| Oligomeric count | 1 |
| label_asym_ids of protein | |
| label_asym_ids of heme | |
| label_asym_ids of the others |
L (SI5SI5
), M (ZNZN
), N (ZNZN
), O (ZNZN
)
|
Each chain information
| auth_asym_id | B |
|---|---|
| Residue indices (Uniprot) | 31-497 (34-497) |
| Mutations (UniProt numbering) | |
| Missing residues | 40LEU-43LEU:50ASP-53ASN:143GLY-146LYS |
| Structural gaps | Exists |
| Uniprot ID | P10635 ￫UniprotKB |
| label_asym_ids of heme | K |
| Available structure | PDB and Modeled |
| RMSD of experimental residues after energy minimization | 0.12 Å |
| Structural data | modeled |
|---|---|
| Oligomeric count | 1 |
| label_asym_ids of protein | |
| label_asym_ids of heme | |
| label_asym_ids of the others |
Q (SI5SI5
), R (ZNZN
), S (ZNZN
), T (ZNZN
), U (ZNZN
), V (ZNZN
)
|
Each chain information
| auth_asym_id | C |
|---|---|
| Residue indices (Uniprot) | 33-497 (34-497) |
| Mutations (UniProt numbering) | |
| Missing residues | 40LEU-53ASN:143GLY-147LYS |
| Structural gaps | Exists |
| Uniprot ID | P10635 ￫UniprotKB |
| label_asym_ids of heme | P |
| Available structure | PDB and Modeled |
| RMSD of experimental residues after energy minimization | 0.10 Å |
| Structural data | modeled |
|---|---|
| Oligomeric count | 1 |
| label_asym_ids of protein | |
| label_asym_ids of heme | |
| label_asym_ids of the others |
AA (ZNZN
), BA (ZNZN
), CA (ZNZN
), X (SI5SI5
), Y (ZNZN
), Z (ZNZN
)
|
Each chain information
| auth_asym_id | D |
|---|---|
| Residue indices (Uniprot) | 33-497 (34-497) |
| Mutations (UniProt numbering) | |
| Missing residues | 41PRO-53ASN |
| Structural gaps | Exists |
| Uniprot ID | P10635 ￫UniprotKB |
| label_asym_ids of heme | W |
| Available structure | PDB and Modeled |
| RMSD of experimental residues after energy minimization | 0.12 Å |