Research workbench
Crystal structure of human carbonyl reductase 1 in complex with NADP
Analyse Crystal structure of human carbonyl reductase 1 in complex with NADP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3BHI
- Type
- protein
- Length
- 275 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonyl reductase [NADPH] 1
- EC
- 1.1.1.184
- UniProt
- P16152
- Ligands
- NAP, CL
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonyl reductase [NADPH] 1 (EC 1.1.1.184) | protein | 275 | 48% helix, 16% strand | P16152 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- CL · Chloride ion · ion · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 374 | 0.70 | 0.82 | 43 | CL, NAP |
| 2 | 69 | 0.33 | 0.76 | 15 | empty |
| 3 | 51 | 0.27 | 0.74 | 11 | empty |
Compared structures
- 3BHI · Crystal structure of human Carbonyl Reductase 1 in complex with NADP · the same entry in another collection · chain A against A, TM-score 1.00
- P16152 · AlphaFold monomer V2.0 prediction for carbonyl reductase [NADPH] 1 (P16152) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P16152
- Elsewhere: RCSB PDB 3BHI · PDBe 3BHI · UniProt P16152
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