Target Binding Site Detail

Content Navigation (  All   None )                                      
Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T25307 Target Info
Target Name Nuclear receptor ROR-gamma (RORG)
Synonyms Retinoid-related orphan receptor-gamma; RZRG; RORG; RAR-related orphan receptor C; Nuclear receptor subfamily 1 group F member 3; Nuclear receptor RZR-gamma; NR1F3
Target Type Clinical trial Target
Gene Name RORC
Biochemical Class Nuclear hormone receptor
UniProt ID
RORG_HUMAN
Ligand General Information  Top
Ligand Name Desmosterol Ligand Info
Canonical SMILES CC(CCC=C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
InChI 1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey AVSXSVCZWQODGV-DPAQBDIFSA-N
PubChem Compound ID 439577
Drug Binding Sites of Target  Top
PDB ID: 6T4J      ROR(gamma)t ligand binding domain in complex with desmosterol and allosteric ligand FM26
Method X-ray diffraction Resolution 1.79 Å Mutation No [1]
PDB Sequence
LTEIEHLVQS
276
VCKSYRETCQ
286
LRLEDLLRQR
296
SNIFSREEVT
306
GYQRKSMWEM
316

WERCAHHLTE
326
AIQYVVEFAK
336
RLSGFMELCQ
346
NDQIVLLKAG
356
AMEVVLVRMC
366

RAYNADNRTV
376
FFEGKYGGME
386
LFRALGCSEL
396
ISSIFDFSHS
406
LSALHFSEDE
416

IALYTALVLI
426
NAHRPGLQEK
436
RKVEQLQYNL
446
ELAFHHHLHK
456
THRQSILAKL
466

PPKGKLRSLC
476
SQHVERLQIF
486
QHLHPIVVQA
496
AFPPLYKELF
506
S
Residue
Distance (Å)
CYS285
4.386
GLN286
3.020
LEU287
4.016
TRP317
4.612
CYS320
3.637
HIS323
3.722
LEU324
4.066
ALA327
4.237
VAL361
3.965
ARG364
3.925
MET365
3.691
ALA368
4.101
VAL376
4.263
Residue
Distance (Å)
PHE377
4.061
PHE378
3.850
PHE388
3.883
LEU391
4.044
CYS393
4.201
LEU396
3.577
ILE397
4.229
ILE400
4.248
PHE401
4.512
HIS479
3.823
ARG482
4.587
LEU483
3.952
PHE486
3.747
PDB ID: 6T4K      ROR(gamma)t ligand binding domain in complex with desmosterol and allosteric ligand MRL871
Method X-ray diffraction Resolution 1.89 Å Mutation No [1]
PDB Sequence
LTEIEHLVQS
276
VCKSYRETCQ
286
LRLEDLLRQR
296
SNIFSREEVT
306
GYQRKSMWEM
316

WERCAHHLTE
326
AIQYVVEFAK
336
RLSGFMELCQ
346
NDQIVLLKAG
356
AMEVVLVRMC
366

RAYNADNRTV
376
FFEGKYGGME
386
LFRALGCSEL
396
ISSIFDFSHS
406
LSALHFSEDE
416

IALYTALVLI
426
NAHRPGLQEK
436
RKVEQLQYNL
446
ELAFHHHLHK
456
THRQSILAKL
466

PPKGKLRSLC
476
SQHVERLQIF
486
QHLHPIVVQA
496
AFPPLYKELF
506
S
Residue
Distance (Å)
CYS285
4.439
GLN286
2.973
LEU287
4.027
TRP317
4.465
CYS320
3.812
HIS323
3.730
LEU324
3.991
ALA327
4.048
VAL361
3.864
ARG364
3.825
MET365
3.657
ALA368
4.001
VAL376
4.066
Residue
Distance (Å)
PHE377
3.952
PHE378
3.976
PHE388
3.977
LEU391
3.894
CYS393
4.231
LEU396
3.746
ILE397
4.036
ILE400
4.262
PHE401
4.522
HIS479
3.650
ARG482
4.451
LEU483
3.832
PHE486
3.830
PDB ID: 6TLT      ROR(gamma)t ligand binding domain in complex with desmosterol and allosteric ligand Glenmark
Method X-ray diffraction Resolution 2.11 Å Mutation No [1]
PDB Sequence
TEIEHLVQSV
277
CKSYRETCQL
287
RLEDLLRQRS
297
NIFSREEVTG
307
YQRKSMWEMW
317

ERCAHHLTEA
327
IQYVVEFAKR
337
LSGFMELCQN
347
DQIVLLKAGA
357
MEVVLVRMCR
367

AYNADNRTVF
377
FEGKYGGMEL
387
FRALGCSELI
397
SSIFDFSHSL
407
SALHFSEDEI
417

ALYTALVLIN
427
AHRPGLQEKR
437
KVEQLQYNLE
447
LAFHHHLHKT
457
HRQSILAKLP
467

PKGKLRSLCS
477
QHVERLQIFQ
487
HLHPIVVQAA
497
FPPLYKELFS
507
Residue
Distance (Å)
CYS285
4.375
GLN286
3.032
LEU287
4.037
TRP317
4.349
CYS320
3.890
HIS323
3.860
LEU324
3.931
ALA327
4.197
VAL361
4.005
ARG364
3.784
MET365
3.585
ALA368
3.882
VAL376
4.035
Residue
Distance (Å)
PHE377
3.922
PHE378
4.087
PHE388
3.807
LEU391
4.018
CYS393
4.324
LEU396
3.894
ILE397
3.962
ILE400
4.336
PHE401
4.398
HIS479
3.922
ARG482
4.518
LEU483
3.721
PHE486
3.751
References  Top
REF 1 Cooperativity between the orthosteric and allosteric ligand binding sites of RORGammat. Proc Natl Acad Sci U S A. 2021 Feb 9;118(6):e2021287118.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.