3VFE
Virtual Screening and X-Ray Crystallography for Human Kallikrein 6 Inhibitors with an Amidinothiophene P1 Group
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0001533 | cellular_component | cornified envelope |
| A | 0004252 | molecular_function | serine-type endopeptidase activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005576 | cellular_component | extracellular region |
| A | 0005615 | cellular_component | extracellular space |
| A | 0005654 | cellular_component | nucleoplasm |
| A | 0005730 | cellular_component | nucleolus |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0006508 | biological_process | proteolysis |
| A | 0007417 | biological_process | central nervous system development |
| A | 0008233 | molecular_function | peptidase activity |
| A | 0008236 | molecular_function | serine-type peptidase activity |
| A | 0009611 | biological_process | response to wounding |
| A | 0010975 | biological_process | regulation of neuron projection development |
| A | 0016540 | biological_process | protein autoprocessing |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0030141 | cellular_component | secretory granule |
| A | 0030574 | biological_process | collagen catabolic process |
| A | 0042246 | biological_process | tissue regeneration |
| A | 0042445 | biological_process | hormone metabolic process |
| A | 0042552 | biological_process | myelination |
| A | 0042982 | biological_process | amyloid precursor protein metabolic process |
| A | 0045595 | biological_process | regulation of cell differentiation |
| A | 0045745 | biological_process | positive regulation of G protein-coupled receptor signaling pathway |
| A | 0051604 | biological_process | protein maturation |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE 0HL A 301 |
| Chain | Residue |
| A | LEU40 |
| A | GLY193 |
| A | SER195 |
| A | SER214 |
| A | TRP215 |
| A | GLY216 |
| A | ASN217 |
| A | CYS220 |
| A | HOH424 |
| A | LEU41 |
| A | CYS42 |
| A | HIS57 |
| A | PHE151 |
| A | ASP189 |
| A | SER190 |
| A | CYS191 |
| A | GLN192 |
Functional Information from PROSITE/UniProt
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 220 |
| Details | Domain: {"description":"Peptidase S1","evidences":[{"source":"PROSITE-ProRule","id":"PRU00274","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 3 |
| Details | Active site: {"description":"Charge relay system","evidences":[{"source":"PubMed","id":"12016211","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | Site: {"description":"Cleavage; by autolysis"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
