MolNFT v1 · #177990 · protein

Crystal structure of isomerase DCR3

7F13: “Crystal structure of isomerase DCR3”. X-ray diffraction, 2 pockets (best druggability 0.72). MolNFT v1 #177990 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7F13
Type: protein
Length: 302 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: DCR3
Pockets: 2 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	DCR3	protein	154	40% helix, 37% strand	—
B	DCR3	protein	148	43% helix, 39% strand	—

Ligands and binding sites

EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	362	0.72	0.83	41	empty
2	340	0.70	0.83	41	EPE

Interfaces

1 interface between chains.

A–B · 1233 Å² buried · 24 hydrogen bonds · protein-protein

Compared structures

7F13 · Crystal structure of isomerase Dcr3 · 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
Elsewhere: RCSB PDB 7F13 · PDBe 7F13

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