9N9L: Nuclear receptor ROR-gamma

An RORgt Inverse agonist for treatment of Psoriasis. Determined by X-ray diffraction at 1.64 Å resolution. Released 30 Apr 2025.

Method: X-ray diffraction
Resolution: 1.64 Å
Organism: Homo sapiens
Chains: 2
Atoms: 3,975
Mol. weight: 57.86 kDa
Ligands: A1BW2
Released: 30 Apr 2025

Explore 9N9L in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

9N9L contains 29 α-helices and 8 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 14 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	267-283	17
α-helix	289-294	6
β-strand	299	1	1
α-helix	302-309	8
α-helix	313-337	25
α-helix	341-343	3
α-helix	346-364	19
α-helix	365-368	4
β-strand	369-370	2	1
β-strand	375-378	4	1
β-strand	381-383	3	1
α-helix	385-391	7
α-helix	394-408	15
α-helix	414-425	12
α-helix	436-456	21
α-helix	460-465	6
α-helix	467-468	2
α-helix	469-489	21

Chain B: 15 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	267-284	18
α-helix	289-294	6
α-helix	295-297	3
β-strand	299	1	2
α-helix	302-309	8
α-helix	313-337	25
α-helix	341-343	3
α-helix	346-364	19
α-helix	365-368	4
β-strand	369-370	2	2
β-strand	375-378	4	2
β-strand	381-383	3	2
α-helix	385-391	7
α-helix	394-408	15
α-helix	414-425	12
α-helix	436-456	21
α-helix	462-465	4
α-helix	467-468	2
α-helix	469-489	21

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Nuclear receptor ROR-gamma	A, B	protein	243	Homo sapiens	P51449 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>9N9L_1 Nuclear receptor ROR-gamma (chains A, B)
ASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIFSREEVTGYQRKSMWEMWERCAHHL
TEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEVVLVRMCRAYNADNRTVFFEGKYGG
MELFRALGCSELISSIFDFSHSLSALHFSEDEIALYTALVLINAHRPGLQEKRKVEQLQY
NLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHVERLQIFQHLHPIVVQAAFPPLYKE
LFS

Ligands and cofactors

ID	Name	Formula	Copies
A1BW2	(5P)-5-[2,3-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(…	C23 H23 Cl2 F6 N3 O4 S	2

Primary citation

Identification of JNJ-61803534, a ROR gamma t Inverse Agonist for the Treatment of Psoriasis. Kinzel, O., Goldberg, S.D., Cummings, M.D. et al. J Med Chem (2025) 68:8713-8728. DOI 10.1021/acs.jmedchem.5c00390 · PubMed

Other PDB entries of the same protein (UniProt P51449 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7NPC 1.47 Å, ROR(gamma)t ligand binding domain in complex with allosteric ligand FM156
6T4X 1.48 Å, ROR(gamma)t ligand binding domain in complex with 25-hydroxycholesterol and allosteric…
5APH 1.54 Å, Ligand complex of RORg LBD
6R7K 1.54 Å, Ligand complex of RORg LBD
7NP5 1.55 Å, ROR(gamma)t ligand binding domain in complex with allosteric ligand FM216
6W9I 1.61 Å, Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma…
6SAL 1.61 Å, ROR(gamma)t ligand binding domain in complex with allosteric ligand FM26
7OFK 1.61 Å, Ligand complex of RORg LBD
6T4T 1.62 Å, ROR(gamma)t ligand binding domain in complex with 20-alpha-hydroxycholesterol and…
7KXD 1.62 Å, Crystal structure of rar-related orphan receptor C (nhis-RORGT(244-487)-L6-SRC1(678-692))…
5NTW 1.64 Å, Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding…
6G07 1.66 Å, Rorgt (264-518;C455S) in complex with inverse agonist "cpd-9" and RIP140 peptide at 1.66A

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