Structure of PDB 2knt Chain A Binding Site BS01

Receptor Information
>2knt Chain A (length=58) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETDICKLPKDEGTCRDFILKWYYDPNTKSCARFWYGGCGGNENKFGSQKE
CEKVCAPV
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain2knt Chain A Residue 59 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2knt 1.2 A refinement of the Kunitz-type domain from the alpha3 chain of human type VI collagen.
Resolution1.2 Å
Binding residue
(original residue number in PDB)		W21 Q48
Binding residue
(residue number reindexed from 1)		W21 Q48
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004867 serine-type endopeptidase inhibitor activity

View graph for
Molecular Function
External links
PDB RCSB:2knt, PDBe:2knt, PDBj:2knt
PDBsum2knt
PubMed9761897
UniProtP12111|CO6A3_HUMAN Collagen alpha-3(VI) chain (Gene Name=COL6A3)

[Back to BioLiP]