4WLB: RORc

Crystal structure of RORc in complex with a partial inverse agonist compound. Determined by X-ray diffraction at 1.7 Å resolution. Released 12 Nov 2014.

Method: X-ray diffraction
Resolution: 1.7 Å
Organism: Homo sapiens
Chains: 4
Atoms: 4,718
Mol. weight: 64.87 kDa
Ligands: 3QQ, TLA
Released: 12 Nov 2014

Explore 4WLB in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4WLB contains 32 α-helices and 8 β-strands across 4 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: 15 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	267-282	16
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	471-489	19
α-helix	491-497	7
α-helix	500-506	7

Chain B: 15 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	267-282	16
α-helix	289-294	6
α-helix	295-297	3
β-strand	299	1	2
α-helix	302-310	9
α-helix	313-337	25
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	460-465	6
α-helix	471-489	19
α-helix	491-497	7
α-helix	500-506	7

Chains D and E: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	9-14	6

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Nuclear receptor ROR-gamma	A, B	protein	265	Homo sapiens	P51449 (AlphaFold model)
SRC-1 peptide	D, E	protein	8	Homo sapiens

Sequence of entity 1 (A, B), FASTA

>4WLB_1 Nuclear receptor ROR-gamma (chains A, B)
MHHHHHHGENLYFQGSAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIFSREEV
TGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEVVLVRM
CRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALYTALVL
INAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHVERLQI
FQHLHPIVVQAAFPPLYKELFSGNS

Sequence of entity 2 (D, E), FASTA

>4WLB_2 SRC-1 peptide (chains D, E)
SLLKKLLD

Ligands and cofactors

ID	Name	Formula	Copies
3QQ	N-(4-fluorobenzyl)-N-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amin…	C22 H31 F N4 O4 S2	2
TLA	L(+)-tartaric acid	C4 H6 O6	2

Primary citation

A reversed sulfonamide series of selective RORc inverse agonists. van Niel, M.B., Fauber, B.P., Cartwright, M. et al. Bioorg Med Chem Lett (2014) 24:5769-5776. DOI 10.1016/j.bmcl.2014.10.037 · 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))…
9N9L 1.64 Å, An RORgt Inverse agonist for treatment of Psoriasis
5NTW 1.64 Å, Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding…

Browse structure collections

About this viewer

MolViewer shows 4WLB directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.