MolNFT v1 · #152059 · protein

Crystal structure of human errg lbd in complex with tetrahydro-2- naphtol

6I67 · Estrogen-related receptor gamma: “Crystal structure of human errg lbd in complex with tetrahydro-2- naphtol”. X-ray diffraction, 1 ligand (H42), 2 pockets (best druggability 0.77). MolNFT v1 #152059 on GenesisL1: 3D structure…

PDB: 6I67
Type: protein
Length: 225 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Estrogen-related receptor gamma
UniProt: P62508
Ligands: H42
Pockets: 2 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 66% helix, 3% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Estrogen-related receptor gamma	protein	225	66% helix, 3% strand	P62508

Ligands and binding sites

H42 · 5,6,7,8-tetrahydronaphthalen-2-ol · ligand · chains A
GOL · Glycerol · additive · 2 copies · 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	79	0.77	0.98	18	H42
2	120	0.64	0.87	21	GOL

Compared structures

6I67 · Crystal structure of human ERRg LBD in complex with tetrahydro-2-naphtol · the same entry in another collection · chain A against A, TM-score 1.00
P62508 · AlphaFold monomer V2.0 prediction for estrogen-related receptor gamma (P62508) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P62508
Elsewhere: RCSB PDB 6I67 · PDBe 6I67 · UniProt P62508

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