Structure of PDB 3gt3 Chain A Binding Site BS01

Receptor Information
>3gt3 Chain A (length=279) Species: 37998 (Parengyodontium album) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFE
GRAQMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVAKKTQLFGVKVLDDNG
SGQYSTIIAGMDFVASDKNNRNCPKGVVASLSLGGGYSSSVNSAAARLQS
SGVMVAVAAGNNNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLD
IFGPGTDILSTWIGGSTRSISGTSMATPHVAGLAAYLMTLGKTTAASACR
YIADTANKGDLSNIPFGTVNLLAYNNYQA
Ligand information
Ligand IDBRV
InChIInChI=1S/C8H4Br3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)
InChIKeyKGKQFJKPOZCZLD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Brc1c(c(Br)c(C(=O)O)c(Br)c1N)C(=O)O
CACTVS 3.341Nc1c(Br)c(C(O)=O)c(Br)c(C(O)=O)c1Br
OpenEye OEToolkits 1.5.0c1(c(c(c(c(c1Br)N)Br)C(=O)O)Br)C(=O)O
FormulaC8 H4 Br3 N O4
Name5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid;
5-Amino-2,4,6-tribromoisophthalic acid
ChEMBL
DrugBankDB07491
ZINCZINC000044678079
PDB chain3gt3 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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PDB3gt3 The magic triangle goes MAD: experimental phasing with a bromine derivative
Resolution1.5 Å
Binding residue
(original residue number in PDB)		T244 S247
Binding residue
(residue number reindexed from 1)		T244 S247
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D39 H69 N161 S224
Catalytic site (residue number reindexed from 1) D39 H69 N161 S224
Enzyme Commision number 3.4.21.64: peptidase K.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0008236 serine-type peptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:3gt3, PDBe:3gt3, PDBj:3gt3
PDBsum3gt3
PubMed20382990
UniProtP06873|PRTK_PARAQ Proteinase K (Gene Name=PROK)

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