Target Binding Site Detail

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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 Cholesterol Ligand Info
Canonical SMILES CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
InChI 1S/C27H46O/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/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey HVYWMOMLDIMFJA-DPAQBDIFSA-N
PubChem Compound ID 5997
Drug Binding Sites of Target  Top
PDB ID: 6TLQ      ROR(gamma)t ligand binding domain in complex with cholesterol and allosteric ligand Glenmark
Method X-ray diffraction Resolution 1.76 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
4.264
GLN286
2.937
LEU287
4.015
TRP317
4.305
CYS320
3.649
HIS323
3.668
LEU324
3.993
ALA327
4.193
VAL361
3.834
ARG364
3.839
MET365
3.645
ALA368
4.119
VAL376
4.191
Residue
Distance (Å)
PHE377
4.300
PHE378
3.949
PHE388
3.989
LEU391
3.677
CYS393
4.874
LEU396
3.578
ILE397
4.100
ILE400
4.018
PHE401
4.372
HIS479
3.721
ARG482
4.029
LEU483
3.706
PHE486
3.659
PDB ID: 6T4I      ROR(gamma)t ligand binding domain in complex with cholesterol and allosteric ligand MRL871
Method X-ray diffraction Resolution 1.84 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
4.337
GLN286
2.898
LEU287
4.071
TRP317
4.108
CYS320
3.674
HIS323
3.578
LEU324
3.904
ALA327
4.148
VAL361
3.830
ARG364
3.786
MET365
3.576
ALA368
3.993
VAL376
4.114
Residue
Distance (Å)
PHE377
4.136
PHE378
3.884
PHE388
4.016
LEU391
4.053
CYS393
4.495
LEU396
3.648
ILE397
4.086
ILE400
4.193
PHE401
4.468
HIS479
3.475
ARG482
4.357
LEU483
3.696
PHE486
3.890
PDB ID: 6T4G      ROR(gamma)t ligand binding domain in complex with cholesterol and allosteric ligand FM26
Method X-ray diffraction Resolution 1.93 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
4.496
GLN286
2.947
LEU287
4.154
TRP317
4.180
CYS320
3.760
HIS323
3.708
LEU324
3.956
ALA327
4.230
VAL361
3.911
ARG364
3.821
MET365
3.562
ALA368
3.966
VAL376
4.130
Residue
Distance (Å)
PHE377
4.128
PHE378
3.981
PHE388
4.012
LEU391
3.761
CYS393
4.543
LEU396
3.586
ILE397
4.069
ILE400
4.222
PHE401
4.555
HIS479
3.726
ARG482
4.246
LEU483
3.781
PHE486
3.834
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.

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