Structure of PDB 6txg Chain A Binding Site BS02

Receptor Information
>6txg 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 IDNYN
InChIInChI=1S/C6H12S3.C2H4N2.Ru/c1-2-8-5-6-9-4-3-7-1;3-1-2-4;/h1-6H2;1-2H2;/q;-2;-3
InChIKeyZNOIBYRQMPADCX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		C1C[N-][Ru]23([N-]1)[S-]4CC[S-]2CC[S-]3CC4
FormulaC8 H16 N2 Ru S3
Namechlorido(1,2-diaminoethane-k2N,N')(1,4,7-trithiacyclononane-k3S,S',S'')ruthenium(II) trifluoromethanesulfonate
ChEMBL
DrugBank
ZINC
PDB chain6txg Chain A Residue 307 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6txg High-resolution crystal structures of a "half sandwich"-type Ru(II) coordination compound bound to hen egg-white lysozyme and proteinase K.
Resolution1.372 Å
Binding residue
(original residue number in PDB)		P175 V177 V198 D200
Binding residue
(residue number reindexed from 1)		P175 V177 V198 D200
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:6txg, PDBe:6txg, PDBj:6txg
PDBsum6txg
PubMed32266561
UniProtP06873|PRTK_PARAQ Proteinase K (Gene Name=PROK)

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