MolNFT v1 · #165655 · protein

Crystal structure of rar-related orphan receptor C (nhis- RORGT(244- 487)-L6-SRC1(678-692)) in complex with a tricyclic inverse agonist

6U25 · Nuclear receptor coactivator 1 chimera: “Crystal structure of rar-related orphan receptor C (nhis- RORGT(244- 487)-L6-SRC1(678-692)) in complex with a…”. X-ray diffraction, 1 ligand (O5B), 4 pockets (best druggability 0.84). MolNFT…

PDB: 6U25
Type: protein
Length: 253 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nuclear receptor coactivator 1 chimera
EC: 2.3.1.48
UniProt: P51449, Q15788
Ligands: O5B
Pockets: 4 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 71% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nuclear receptor coactivator 1 chimera (EC 2.3.1.48)	protein	253	71% helix, 4% strand	P51449, Q15788

Ligands and binding sites

O5B · Trans-4-[(3ar,9br)-9B-[(4-fluorophenyl)sulfonyl]-7-(1, 1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3A,4,5,9B-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid · ligand · chains A
GOL · Glycerol · additive · chains A

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

Pockets

4 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	444	0.84	0.91	38	O5B, GOL
2	175	0.48	0.76	19	empty
3	97	0.43	0.78	15	empty
4	60	0.31	0.75	12	empty

Compared structures

6U25 · Crystal structure of rar-related orphan receptor C (nhis… · 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 P51449
Every structure of UniProt Q15788
Elsewhere: RCSB PDB 6U25 · PDBe 6U25 · UniProt P51449 · UniProt Q15788

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