3S70
Crystal structure of active caspase-6 bound with Ac-VEID-CHO solved by As-SAD
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0002218 | biological_process | activation of innate immune response |
| A | 0004175 | molecular_function | endopeptidase activity |
| A | 0004197 | molecular_function | cysteine-type endopeptidase activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005634 | cellular_component | nucleus |
| A | 0005654 | cellular_component | nucleoplasm |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0006508 | biological_process | proteolysis |
| A | 0006915 | biological_process | apoptotic process |
| A | 0008233 | molecular_function | peptidase activity |
| A | 0008234 | molecular_function | cysteine-type peptidase activity |
| A | 0016540 | biological_process | protein autoprocessing |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0030855 | biological_process | epithelial cell differentiation |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0043065 | biological_process | positive regulation of apoptotic process |
| A | 0043067 | biological_process | regulation of programmed cell death |
| A | 0043525 | biological_process | positive regulation of neuron apoptotic process |
| A | 0051716 | biological_process | cellular response to stimulus |
| A | 0060545 | biological_process | positive regulation of necroptotic process |
| A | 0070269 | biological_process | pyroptosis |
| A | 0072332 | biological_process | intrinsic apoptotic signaling pathway by p53 class mediator |
| A | 0072734 | biological_process | cellular response to staurosporine |
| A | 0097153 | molecular_function | cysteine-type endopeptidase activity involved in apoptotic process |
| A | 0097194 | biological_process | execution phase of apoptosis |
| A | 0097200 | molecular_function | cysteine-type endopeptidase activity involved in execution phase of apoptosis |
| A | 0097284 | biological_process | hepatocyte apoptotic process |
| C | 0002218 | biological_process | activation of innate immune response |
| C | 0004175 | molecular_function | endopeptidase activity |
| C | 0004197 | molecular_function | cysteine-type endopeptidase activity |
| C | 0005515 | molecular_function | protein binding |
| C | 0005634 | cellular_component | nucleus |
| C | 0005654 | cellular_component | nucleoplasm |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005829 | cellular_component | cytosol |
| C | 0006508 | biological_process | proteolysis |
| C | 0006915 | biological_process | apoptotic process |
| C | 0008233 | molecular_function | peptidase activity |
| C | 0008234 | molecular_function | cysteine-type peptidase activity |
| C | 0016540 | biological_process | protein autoprocessing |
| C | 0016787 | molecular_function | hydrolase activity |
| C | 0030855 | biological_process | epithelial cell differentiation |
| C | 0042802 | molecular_function | identical protein binding |
| C | 0043065 | biological_process | positive regulation of apoptotic process |
| C | 0043067 | biological_process | regulation of programmed cell death |
| C | 0043525 | biological_process | positive regulation of neuron apoptotic process |
| C | 0051716 | biological_process | cellular response to stimulus |
| C | 0060545 | biological_process | positive regulation of necroptotic process |
| C | 0070269 | biological_process | pyroptosis |
| C | 0072332 | biological_process | intrinsic apoptotic signaling pathway by p53 class mediator |
| C | 0072734 | biological_process | cellular response to staurosporine |
| C | 0097153 | molecular_function | cysteine-type endopeptidase activity involved in apoptotic process |
| C | 0097194 | biological_process | execution phase of apoptosis |
| C | 0097200 | molecular_function | cysteine-type endopeptidase activity involved in execution phase of apoptosis |
| C | 0097284 | biological_process | hepatocyte apoptotic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CAC A 2 |
| Chain | Residue |
| A | CYS264 |
| B | VAL1 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE CAC A 3 |
| Chain | Residue |
| A | ARG164 |
| A | TYR210 |
| A | GLU214 |
| A | CYS277 |
| A | ALA279 |
| A | HOH464 |
| C | ALA279 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CAC A 6 |
| Chain | Residue |
| A | THR75 |
| A | VAL85 |
| A | CYS87 |
| C | CAC5 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE CAC A 7 |
| Chain | Residue |
| A | ASN51 |
| A | CYS68 |
| A | ARG71 |
| A | ASN89 |
| C | GLU53 |
| C | ARG54 |
| C | ASP90 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE ACT A 1 |
| Chain | Residue |
| A | ARG71 |
| C | GLU53 |
| C | ARG65 |
| C | GLY66 |
| C | HOH312 |
| C | HOH369 |
| C | HOH395 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG A 302 |
| Chain | Residue |
| A | ARG260 |
| A | HOH368 |
| C | ARG260 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE CAC C 1 |
| Chain | Residue |
| A | ALA279 |
| C | ARG164 |
| C | TYR210 |
| C | GLU214 |
| C | CYS277 |
| C | ALA279 |
| C | HOH410 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CAC C 4 |
| Chain | Residue |
| C | CYS264 |
| D | VAL1 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CAC C 5 |
| Chain | Residue |
| A | CAC6 |
| A | ASP72 |
| C | CYS68 |
| C | ALA69 |
| C | ASP72 |
| site_id | BC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CAC C 8 |
| Chain | Residue |
| C | THR75 |
| C | VAL85 |
| C | CYS87 |
| site_id | BC2 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR CHAIN B OF ALDEHYDE INHIBITOR AC-VEID-CHO |
| Chain | Residue |
| A | CAC2 |
| A | ARG64 |
| A | HIS121 |
| A | GLN161 |
| A | CYS163 |
| A | TYR217 |
| A | SER218 |
| A | HIS219 |
| A | ARG220 |
| A | GLU221 |
| A | THR222 |
| A | HOH407 |
| A | HOH536 |
| B | HOH172 |
| B | HOH203 |
| B | HOH469 |
| B | HOH520 |
| B | HOH611 |
| B | HOH627 |
| site_id | BC3 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR CHAIN D OF ALDEHYDE INHIBITOR AC-VEID-CHO |
| Chain | Residue |
| C | CAC4 |
| C | ARG64 |
| C | HIS121 |
| C | GLY122 |
| C | GLN161 |
| C | CYS163 |
| C | TYR217 |
| C | SER218 |
| C | HIS219 |
| C | ARG220 |
| C | GLU221 |
| C | THR222 |
| D | HOH109 |
| D | HOH156 |
| D | HOH194 |
| D | HOH305 |
| D | HOH375 |
| D | HOH495 |
| D | HOH534 |
| D | HOH598 |
| D | HOH675 |
| D | HOH677 |
Functional Information from PROSITE/UniProt
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: ACT_SITE => ECO:0000269|PubMed:30420425 |
| Chain | Residue | Details |
| A | HIS121 | |
| C | HIS121 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | ACT_SITE: ACT_SITE => ECO:0000269|PubMed:16123779, ECO:0000269|PubMed:19133298, ECO:0000269|PubMed:19694615, ECO:0000269|PubMed:20890311, ECO:0000269|PubMed:28864531, ECO:0000269|PubMed:30420425 |
| Chain | Residue | Details |
| A | CYS163 | |
| C | CYS163 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:O08738 |
| Chain | Residue | Details |
| A | SER79 | |
| C | SER79 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine; by NUAK1 and AMPK => ECO:0000269|PubMed:15273717, ECO:0000269|PubMed:22483120, ECO:0000269|PubMed:32029622 |
| Chain | Residue | Details |
| A | SER257 | |
| C | SER257 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | LIPID: S-palmitoyl cysteine => ECO:0000269|PubMed:27911442 |
| Chain | Residue | Details |
| A | CYS264 | |
| A | CYS277 | |
| C | CYS264 | |
| C | CYS277 |
