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Crystal structure of reverb beta in complex with heme

Analyse Crystal structure of reverb beta in complex with heme in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3CQV
Type: protein
Length: 196 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nuclear receptor subfamily 1 group D member 2
UniProt: Q14995
Ligands: HEM
Pockets: 3 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 67% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nuclear receptor subfamily 1 group D member 2	protein	196	67% helix, 4% strand	Q14995

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · 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	339	0.71	0.83	37	HEM
2	57	0.36	0.78	13	empty
3	83	0.36	0.76	19	empty

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

3CQV · Crystal structure of Reverb beta in complex with heme · the same entry in another collection · chain A against A, TM-score 1.00
Q14995 · AlphaFold monomer V2.0 prediction for nuclear receptor subfamily 1 group D member 2… · a predicted model of the same protein · chain A against A, TM-score 0.90

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 Q14995
Elsewhere: RCSB PDB 3CQV · PDBe 3CQV · UniProt Q14995

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