Structure of PDB 5g44 Chain A Binding Site BS03

Receptor Information
>5g44 Chain A (length=245) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIFSREEVTGYQRKSMW
EMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEVVLVR
MCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSE
DEIALYTALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILA
KLPPKGKLRSLCSQHVERLQIFQHLHPIVVQAAFPPLYKELFSGG
Ligand information
Ligand IDYTZ
InChIInChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)
InChIKeyJNMRHUJNCSQMMB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(ccc1N)S(=O)(=O)Nc2nccs2
ACDLabs 12.01O=S(=O)(Nc1nccs1)c2ccc(N)cc2
CACTVS 3.370Nc1ccc(cc1)[S](=O)(=O)Nc2sccn2
FormulaC9 H9 N3 O2 S2
Name4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide;
Sulfathiazole
ChEMBLCHEMBL437
DrugBankDB06147
ZINCZINC000000121458
PDB chain5g44 Chain A Residue 1512 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5g44 Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments.
Resolution1.84 Å
Binding residue
(original residue number in PDB)		Q286 L287 A327 V361 R364 M365 R367 A368 F377
Binding residue
(residue number reindexed from 1)		Q22 L23 A63 V97 R100 M101 R103 A104 F113
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0004879 nuclear receptor activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5g44, PDBe:5g44, PDBj:5g44
PDBsum5g44
PubMed27432277
UniProtP51449|RORG_HUMAN Nuclear receptor ROR-gamma (Gene Name=RORC)

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