Structure of PDB 2xn7 Chain A Binding Site BS02

Receptor Information
>2xn7 Chain A (length=339) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATLYKMSSINADFAFNLYRRFTVETPDKNIFFSPVSISAALVMLSFGACC
STQTEIVETLGFNLTDTPMVEIQHGFQHLICSLNFPKKELELQIGNALFI
GKHLKPLAKFLNDVKTLYETEVFSTDFSNISAAKQEINSHVEMQTKGKVV
GLIQDLKPNTIMVLVNYIHFKAQWANPFDPSKTEDSSSFLIDKTTTVQVP
MMHQMEQYYHLVDMELNCTVLQMDYSKNALALFVLPKEGQMESVEAAMSS
KTLKKWNRLLQKGWVDLFVPKFSISATYDLGATLLKMGIQHAYSENADFS
GLTEDNGLKLSNAAHKAVLHIGEKGTEAAGAMFLEAIPR
Ligand information
Ligand IDF6Z
InChIInChI=1S/C21H12O7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)21(15)14-4-1-10(19(24)25)7-13(14)20(26)28-21/h1-9,22-23H,(H,24,25)
InChIKeyNJYVEMPWNAYQQN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c1cc2c(cc1)C4(OC2=O)c5ccc(O)cc5Oc3cc(O)ccc34
OpenEye OEToolkits 1.6.1c1cc2c(cc1C(=O)O)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O
CACTVS 3.352OC(=O)c1ccc2c(c1)C(=O)O[C]23c4ccc(O)cc4Oc5cc(O)ccc35
CACTVS 3.352OC(=O)c1ccc2c(c1)C(=O)O[C@@]23c4ccc(O)cc4Oc5cc(O)ccc35
FormulaC21 H12 O7
Name3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-5-CARBOXYLIC ACID
ChEMBL
DrugBank
ZINCZINC000004521303
PDB chain2xn7 Chain A Residue 1356 [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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PDB2xn7 Allosteric Modulation of Hormone Release from Thyroxine and Corticosteroid Binding-Globulins.
Resolution1.43 Å
Binding residue
(original residue number in PDB)		Y225 Q238 D240
Binding residue
(residue number reindexed from 1)		Y209 Q222 D224
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=10.00,Kd<0.1nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004867 serine-type endopeptidase inhibitor activity
Cellular Component
GO:0005615 extracellular space

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:2xn7, PDBe:2xn7, PDBj:2xn7
PDBsum2xn7
PubMed21325280
UniProtP05543|THBG_HUMAN Thyroxine-binding globulin (Gene Name=SERPINA7)

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