1KPE
PKCI-TRANSITION STATE ANALOG
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000118 | cellular_component | histone deacetylase complex |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0005080 | molecular_function | protein kinase C binding |
| 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 | 0005856 | cellular_component | cytoskeleton |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0006355 | biological_process | regulation of DNA-templated transcription |
| A | 0006508 | biological_process | proteolysis |
| A | 0006915 | biological_process | apoptotic process |
| A | 0007165 | biological_process | signal transduction |
| A | 0008234 | molecular_function | cysteine-type peptidase activity |
| A | 0009154 | biological_process | purine ribonucleotide catabolic process |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0016926 | biological_process | protein desumoylation |
| A | 0016929 | molecular_function | deSUMOylase activity |
| A | 0043530 | molecular_function | adenosine 5'-monophosphoramidase activity |
| A | 0050850 | biological_process | positive regulation of calcium-mediated signaling |
| A | 0070062 | cellular_component | extracellular exosome |
| A | 0072332 | biological_process | intrinsic apoptotic signaling pathway by p53 class mediator |
| B | 0000118 | cellular_component | histone deacetylase complex |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0005080 | molecular_function | protein kinase C binding |
| B | 0005515 | molecular_function | protein binding |
| B | 0005634 | cellular_component | nucleus |
| B | 0005654 | cellular_component | nucleoplasm |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0005856 | cellular_component | cytoskeleton |
| B | 0005886 | cellular_component | plasma membrane |
| B | 0006355 | biological_process | regulation of DNA-templated transcription |
| B | 0006508 | biological_process | proteolysis |
| B | 0006915 | biological_process | apoptotic process |
| B | 0007165 | biological_process | signal transduction |
| B | 0008234 | molecular_function | cysteine-type peptidase activity |
| B | 0009154 | biological_process | purine ribonucleotide catabolic process |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0016926 | biological_process | protein desumoylation |
| B | 0016929 | molecular_function | deSUMOylase activity |
| B | 0043530 | molecular_function | adenosine 5'-monophosphoramidase activity |
| B | 0050850 | biological_process | positive regulation of calcium-mediated signaling |
| B | 0070062 | cellular_component | extracellular exosome |
| B | 0072332 | biological_process | intrinsic apoptotic signaling pathway by p53 class mediator |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE ADW B 127 |
| Chain | Residue |
| B | PHE19 |
| B | PHE41 |
| B | HIS42 |
| B | ASP43 |
| B | ILE44 |
| B | SER45 |
| B | LEU53 |
| B | ASN99 |
| B | GLY105 |
| B | GLN106 |
| B | SER107 |
| B | VAL108 |
| B | HIS112 |
| B | HIS114 |
| B | HOH130 |
| B | HOH175 |
| B | HOH179 |
| B | HOH184 |
| B | HOH197 |
| A | TRP123 |
| site_id | AVA |
| Number of Residues | 1 |
| Details | ACTIVE SITE HISTIDINE RESPONSIBLE FOR FORMING THE TRANSIENT NUCLEOTIDYL PHOSPHOHISTIDYL ENZYME INTERMEDIATE DURING CATALYSIS. THE HISTIDINE IN THIS STRUCTURE IS INVOLVED IN A COVALENT ADDUCT WITH A TUNGSTATE ION WHICH IS ALSO COVALENTLY ASSOCIATED WITH A NUCLEOSIDE AND SECOND TUNGSTATE ION. THIS PHYSICALLY REPRESENTS THE PENTACOVALENT TRANSITION STATE ANALOG THOUGHT TO OCCUR IN THE REACTION OF PKCI WITH A NUCLEOTIDE DIPHOSPHATE WITH THE ALPHA TUNGSTATE ION. |
| Chain | Residue |
| A | HIS112 |
| site_id | AVB |
| Number of Residues | 1 |
| Details | ACTIVE SITE HISTIDINE RESPONSIBLE FOR FORMING THE TRANSIENT NUCLEOTIDYL PHOSPHOHISTIDYL ENZYME INTERMEDIATE DURING CATALYSIS. THE HISTIDINE IN THIS STRUCTURE IS INVOLVED IN A COVALENT ADDUCT WITH A TUNGSTATE ION WHICH IS ALSO COVALENTLY ASSOCIATED WITH A NUCLEOSIDE AND SECOND TUNGSTATE ION. THIS PHYSICALLY REPRESENTS THE PENTACOVALENT TRANSITION STATE ANALOG THOUGHT TO OCCUR IN THE REACTION OF PKCI WITH A NUCLEOTIDE DIPHOSPHATE WITH THE ALPHA TUNGSTATE ION. |
| Chain | Residue |
| B | HIS112 |
| site_id | HNA |
| Number of Residues | 3 |
| Details | HISTIDINE TRIAD FOR WHICH THIS FAMILY WAS NAMED. |
| Chain | Residue |
| A | HIS51 |
| A | HIS112 |
| A | HIS114 |
| site_id | HNB |
| Number of Residues | 3 |
| Details | HISTIDINE TRIAD FOR WHICH THIS FAMILY WAS NAMED. |
| Chain | Residue |
| B | HIS51 |
| B | HIS112 |
| B | HIS114 |
Functional Information from PROSITE/UniProt
| site_id | PS00892 |
| Number of Residues | 19 |
| Details | HIT_1 HIT domain signature. NegsdGgQsVyHVHLHVLG |
| Chain | Residue | Details |
| A | ASN99-GLY117 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Tele-AMP-histidine intermediate => ECO:0000269|PubMed:9323207 |
| Chain | Residue | Details |
| A | LEU113 | |
| B | LEU113 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:22869114, ECO:0007744|PDB:3TW2 |
| Chain | Residue | Details |
| A | GLN106 | |
| A | LEU113 | |
| B | ILE44 | |
| B | GLU100 | |
| B | GLN106 | |
| B | LEU113 | |
| A | ILE44 | |
| A | GLU100 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | MOD_RES: N-acetylalanine => ECO:0007744|PubMed:22814378 |
| Chain | Residue | Details |
| A | ASP3 | |
| B | ASP3 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861 |
| Chain | Residue | Details |
| B | ILE22 | |
| B | ILE31 | |
| A | ILE22 | |
| A | ILE31 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P70349 |
| Chain | Residue | Details |
| A | PRO46 | |
| A | LEU73 | |
| B | PRO46 | |
| B | LEU73 |
