Research workbench
Crystal structure of cytochrome P450 bm-3 in complex with N- palmitoylglycine (npg)
Analyse Crystal structure of cytochrome P450 bm-3 in complex with N- palmitoylglycine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4KPA
- Type
- protein
- Length
- 461 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 bm-3
- EC
- 1.14.14.1
- UniProt
- P14779
- Ligands
- HEM, 140
- Pockets
- 3 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 bm-3 (EC 1.14.14.1) | protein | 461 | 54% helix, 11% strand | P14779 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- 140 · N-palmitoylglycine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 645 | 0.87 | 0.91 | 90 | HEM, 140 |
| 2 | 136 | 0.57 | 0.83 | 23 | empty |
| 3 | 186 | 0.46 | 0.75 | 29 | empty |
Compared structures
- 4KPA · Crystal structure of cytochrome P450 BM-3 in complex with N-palmitoylglycine (NPG) · the same entry in another collection · chain A against A, TM-score 1.00
- P14779 · AlphaFold monomer V2.0 prediction for bifunctional cytochrome P450/NADPH--P450 reductase… · a predicted model of the same protein · chain A against A, TM-score 0.97
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P14779
- Elsewhere: RCSB PDB 4KPA · PDBe 4KPA · UniProt P14779
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