MolNFT v1 · #158073 · protein
11-beta dehydrogenase isozyme 1 in complex with colletoic acid
6NJ7 · Corticosteroid 11-beta-dehydrogenase isozyme 1: “11-beta dehydrogenase isozyme 1 in complex with colletoic acid”. X-ray diffraction, 2 ligands (NAP, 7H6), 7 pockets (best druggability 0.81). MolNFT v1 #158073 on GenesisL1: 3D…
- PDB
- 6NJ7
- Type
- protein
- Length
- 998 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Corticosteroid 11-beta-dehydrogenase isozyme 1
- EC
- 1.1.1.146
- UniProt
- P28845
- Ligands
- NAP, 7H6
- Pockets
- 7 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 52% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Corticosteroid 11-beta-dehydrogenase isozyme 1 (EC 1.1.1.146) | protein | 243 | 53% helix, 16% strand | P28845 |
| B | Corticosteroid 11-beta-dehydrogenase isozyme 1 (EC 1.1.1.146) | protein | 257 | 53% helix, 16% strand | P28845 |
| C | Corticosteroid 11-beta-dehydrogenase isozyme 1 (EC 1.1.1.146) | protein | 250 | 54% helix, 16% strand | P28845 |
| D | Corticosteroid 11-beta-dehydrogenase isozyme 1 (EC 1.1.1.146) | protein | 248 | 50% helix, 15% strand | P28845 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 4 copies · chains A, B, C, D
- 7H6 · (1S,4S,5S,9S)-9-hydroxy-8-methyl-4-(propan-2-yl) spiro[4.5]dec-7-ene-1-carboxylic acid · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1155 | 0.81 | 0.82 | 110 | NAP, 7H6 |
| 2 | 973 | 0.81 | 0.82 | 103 | NAP, 7H6 |
| 3 | 1085 | 0.79 | 0.81 | 105 | NAP, 7H6 |
| 4 | 704 | 0.75 | 0.81 | 53 | NAP, 7H6 |
| 5 | 120 | 0.45 | 0.78 | 24 | empty |
Interfaces
5 interfaces between chains.
- C–D · 2138 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 2055 Ų buried · 15 hydrogen bonds · protein-protein
- B–D · 185 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 120 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 14 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6NJ7 · 11-beta dehydrogenase isozyme 1 in complex with colletoic acid · the same entry in another collection · chain D against D, TM-score 1.00
- P28845 · AlphaFold monomer V2.0 prediction for corticosteroid 11-beta- dehydrogenase isozyme 1… · a predicted model of the same protein · chain C against A, TM-score 1.00
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 P28845
- Elsewhere: RCSB PDB 6NJ7 · PDBe 6NJ7 · UniProt P28845
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.