Structure of PDB 6ulb Chain A Binding Site BS01

Receptor Information
>6ulb Chain A (length=171) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAVHLSPGQEPIAVMTFDLTKITKTSSSFEVRTWDPEGVIFYGDTNPKDD
WFMLGLRDGRPEIQLHNHWAQLTVGAGPRLDDGRWHQVEVKMEGDSVLLE
VDGEEVLRLRQVSGPLTSHPIMRIALGGLLFPASNLRLPLVPALDGCLRR
DSWLDKQAKISASAPTSLRSC
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6ulb Chain A Residue 301 [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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PDB6ulb Structural and biochemical analyses of danazol interactions with sex hormone-binding globulin and effects on androgen action
Resolution1.75 Å
Binding residue
(original residue number in PDB)		D50 E52 A160
Binding residue
(residue number reindexed from 1)		D35 E37 A143
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6ulb, PDBe:6ulb, PDBj:6ulb
PDBsum6ulb
PubMed
UniProtP04278|SHBG_HUMAN Sex hormone-binding globulin (Gene Name=SHBG)

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