MolNFT v1 · #156546 · protein + RNA
Structure of mouse recon (AKR1C13) in complex with cyclic AMP-AMP-gmp (caag)
6M7K · Aldo-keto reductase family 1 member C13: “Structure of mouse recon (AKR1C13) in complex with cyclic AMP-AMP-gmp (caag)”. X-ray diffraction, 2 pockets (best druggability 0.49). MolNFT v1 #156546 on GenesisL1: 3D structure, binding…
- PDB
- 6M7K
- Type
- protein + RNA
- Length
- 321 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aldo-keto reductase family 1 member C13; Cyclic AMP-AMP-gmp
- EC
- 1.1.1.-
- UniProt
- Q8VC28
- Pockets
- 2 · best druggability 0.49
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aldo-keto reductase family 1 member C13 (EC 1.1.1.-) | protein | 318 | 42% helix, 16% strand | Q8VC28 |
| B | Cyclic AMP-AMP-gmp | rna | 3 | — | — |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 93 | 0.49 | 0.82 | 18 | empty |
| 2 | 146 | 0.46 | 0.76 | 23 | EDO |
Interfaces
1 interface between chains.
- A–B · 710 Ų buried · 12 hydrogen bonds · protein-nucleic
Compared structures
- 6M7K · Structure of mouse RECON (AKR1C13) in complex with cyclic AMP-AMP-GMP (cAAG) · the same entry in another collection · chain A against A, TM-score 1.00
- Q8VC28 · AlphaFold monomer V2.0 prediction for aldo-keto reductase family 1 member C13 (Q8VC28) · 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 Q8VC28
- Elsewhere: RCSB PDB 6M7K · PDBe 6M7K · UniProt Q8VC28
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