Structure of PDB 6x21 Chain A Binding Site BS01

Receptor Information
>6x21 Chain A (length=107) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FKGLDSKTFLSEHSMDMKFTYCDDRITELIGYHPEELLGRSAYEFYHALD
SENMTKSHQNLCTKGQVVSGQYRMLAKHGGYVWLETQGTVIYPQCIMCVN
YVLSEIE
Ligand information
Ligand IDUKJ
InChIInChI=1S/C13H7BrF3NO5S/c14-7-3-8(15)5-9(4-7)23-12-2-1-10(6-11(12)18(19)20)24(21,22)13(16)17/h1-6,13H
InChIKeyDRYZYPGPBXQGKZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01[O-][N+](c1c(ccc(c1)S(C(F)F)(=O)=O)Oc2cc(Br)cc(c2)F)=O
CACTVS 3.385[O-][N+](=O)c1cc(ccc1Oc2cc(F)cc(Br)c2)[S](=O)(=O)C(F)F
OpenEye OEToolkits 2.0.7c1cc(c(cc1S(=O)(=O)C(F)F)[N+](=O)[O-])Oc2cc(cc(c2)Br)F
FormulaC13 H7 Br F3 N O5 S
Name1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene
ChEMBL
DrugBank
ZINC
PDB chain6x21 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6x21 Crystal structure of PT1673 bound to HIF2a-B*:ARNT-B* complex
Resolution1.54 Å
Binding residue
(original residue number in PDB)		F244 H248 M252 A277 Y281 M289 S292 V302 S304 Y307 M309 T321 I337 C339 N341
Binding residue
(residue number reindexed from 1)		F9 H13 M17 A42 Y46 M54 S57 V67 S69 Y72 M74 T86 I96 C98 N100
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6x21, PDBe:6x21, PDBj:6x21
PDBsum6x21
PubMed
UniProtQ99814|EPAS1_HUMAN Endothelial PAS domain-containing protein 1 (Gene Name=EPAS1)

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