MolNFT v1 · #105335 · protein

Crystal structure of medicago truncatula cinnamoyl-CoA reductase

4R1U · Cinnamoyl CoA reductase: “Crystal structure of medicago truncatula cinnamoyl-CoA reductase”. X-ray diffraction, 3 pockets (best druggability 0.66). MolNFT v1 #105335 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4R1U
Type: protein
Length: 617 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cinnamoyl CoA reductase
UniProt: G7JEE5
Pockets: 3 · best druggability 0.66

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cinnamoyl CoA reductase	protein	308	41% helix, 19% strand	G7JEE5
B	Cinnamoyl CoA reductase	protein	309	42% helix, 18% strand	G7JEE5

Ligands and binding sites

ACT · Acetate ion · additive · 3 copies · chains A, B

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

Pockets

3 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	582	0.66	0.76	67	ACT
2	458	0.61	0.75	60	empty
3	155	0.49	0.78	28	empty

Interfaces

1 interface between chains.

A–B · 720 Å² buried · 13 hydrogen bonds · protein-protein

Compared structures

4R1U · Crystal structure of Medicago truncatula cinnamoyl-CoA reductase · 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 G7JEE5
Elsewhere: RCSB PDB 4R1U · PDBe 4R1U · UniProt G7JEE5

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.