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Crystal structure of mouse recon (AKR1C13) in complex with cyclic di- AMP

Analyse Crystal structure of mouse recon (AKR1C13) in complex with cyclic di- AMP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5UXF
Type: protein
Length: 316 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dihydrodiol dehydrogenase
UniProt: Q54A37
Ligands: 2BA
Pockets: 3 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Dihydrodiol dehydrogenase	protein	316	41% helix, 17% strand	Q54A37

Ligands and binding sites

2BA · (2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-D:3', 2'-J][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5, 10,12-tetrol 5,12-dioxide · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	337	0.63	0.79	41	2BA
2	55	0.41	0.82	18	empty
3	50	0.27	0.74	12	empty

Compared structures

5UXF · Crystal Structure of mouse RECON (AKR1C13) in complex with Cyclic di-AMP · the same entry in another collection · chain A 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 Q54A37
Elsewhere: RCSB PDB 5UXF · PDBe 5UXF · UniProt Q54A37

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