Structure of PDB 7r6h Chain C Binding Site BS01

Receptor Information
>7r6h Chain C (length=50) Species: 2280 (Staphylothermus marinus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IINETADDIVYRLTVIIDDRYESLKNLITLRADRLEMIINDNVSTILASI
Ligand information
Ligand ID1KW
InChIInChI=1S/C2B10/c1-2-3(1)5(1)6(1)4(1,2)8(2)7(2,3)9(3,5)11(5,6)10(4,6,8)12(7,8,9)11
InChIKeyFSDIYNDXPIJEFP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385[B]1234[B]567[B]189[B]2%10%11[B]3%12%13[B]45%14[B]6%15%16[B]78%17[B]9%10%18[C]%11%12%19[B]%13%14%15[C]%16%17%18%19
OpenEye OEToolkits 2.0.7B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612
FormulaC2 B10
Nameortho-carborane
ChEMBL
DrugBank
ZINC
PDB chain7r6h Chain D Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7r6h Boron rich nanotube drug carrier system is suited for boron neutron capture therapy.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		V45 I48
Binding residue
(residue number reindexed from 1)		V43 I46
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links