3QHR
Structure of a pCDK2/CyclinA transition-state mimic
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000082 | biological_process | G1/S transition of mitotic cell cycle |
| A | 0000086 | biological_process | G2/M transition of mitotic cell cycle |
| A | 0000122 | biological_process | negative regulation of transcription by RNA polymerase II |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0000307 | cellular_component | cyclin-dependent protein kinase holoenzyme complex |
| A | 0000781 | cellular_component | chromosome, telomeric region |
| A | 0000793 | cellular_component | condensed chromosome |
| A | 0000805 | cellular_component | X chromosome |
| A | 0000806 | cellular_component | Y chromosome |
| A | 0001673 | cellular_component | male germ cell nucleus |
| A | 0004672 | molecular_function | protein kinase activity |
| A | 0004674 | molecular_function | protein serine/threonine kinase activity |
| A | 0004693 | molecular_function | cyclin-dependent protein serine/threonine kinase activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005634 | cellular_component | nucleus |
| A | 0005635 | cellular_component | nuclear envelope |
| A | 0005654 | cellular_component | nucleoplasm |
| A | 0005667 | cellular_component | transcription regulator complex |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005768 | cellular_component | endosome |
| A | 0005813 | cellular_component | centrosome |
| A | 0005829 | cellular_component | cytosol |
| A | 0005856 | cellular_component | cytoskeleton |
| A | 0006260 | biological_process | DNA replication |
| A | 0006281 | biological_process | DNA repair |
| A | 0006338 | biological_process | chromatin remodeling |
| A | 0006351 | biological_process | DNA-templated transcription |
| A | 0006468 | biological_process | protein phosphorylation |
| A | 0006813 | biological_process | potassium ion transport |
| A | 0007099 | biological_process | centriole replication |
| A | 0007165 | biological_process | signal transduction |
| A | 0007265 | biological_process | Ras protein signal transduction |
| A | 0007346 | biological_process | regulation of mitotic cell cycle |
| A | 0008284 | biological_process | positive regulation of cell population proliferation |
| A | 0010389 | biological_process | regulation of G2/M transition of mitotic cell cycle |
| A | 0010468 | biological_process | regulation of gene expression |
| A | 0015030 | cellular_component | Cajal body |
| A | 0016301 | molecular_function | kinase activity |
| A | 0018105 | biological_process | peptidyl-serine phosphorylation |
| A | 0019904 | molecular_function | protein domain specific binding |
| A | 0030332 | molecular_function | cyclin binding |
| A | 0031453 | biological_process | positive regulation of heterochromatin formation |
| A | 0031571 | biological_process | mitotic G1 DNA damage checkpoint signaling |
| A | 0032298 | biological_process | positive regulation of DNA-templated DNA replication initiation |
| A | 0035173 | molecular_function | histone kinase activity |
| A | 0043247 | biological_process | telomere maintenance in response to DNA damage |
| A | 0043687 | biological_process | post-translational protein modification |
| A | 0045740 | biological_process | positive regulation of DNA replication |
| A | 0045893 | biological_process | positive regulation of DNA-templated transcription |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0051298 | biological_process | centrosome duplication |
| A | 0051301 | biological_process | cell division |
| A | 0051321 | biological_process | meiotic cell cycle |
| A | 0071732 | biological_process | cellular response to nitric oxide |
| A | 0090398 | biological_process | cellular senescence |
| A | 0097123 | cellular_component | cyclin A1-CDK2 complex |
| A | 0097124 | cellular_component | cyclin A2-CDK2 complex |
| A | 0097134 | cellular_component | cyclin E1-CDK2 complex |
| A | 0097135 | cellular_component | cyclin E2-CDK2 complex |
| A | 0097472 | molecular_function | cyclin-dependent protein kinase activity |
| A | 0106310 | molecular_function | protein serine kinase activity |
| A | 1905784 | biological_process | regulation of anaphase-promoting complex-dependent catabolic process |
| B | 0016538 | molecular_function | cyclin-dependent protein serine/threonine kinase regulator activity |
| B | 0044772 | biological_process | mitotic cell cycle phase transition |
| C | 0000082 | biological_process | G1/S transition of mitotic cell cycle |
| C | 0000086 | biological_process | G2/M transition of mitotic cell cycle |
| C | 0000122 | biological_process | negative regulation of transcription by RNA polymerase II |
| C | 0000287 | molecular_function | magnesium ion binding |
| C | 0000307 | cellular_component | cyclin-dependent protein kinase holoenzyme complex |
| C | 0000781 | cellular_component | chromosome, telomeric region |
| C | 0000793 | cellular_component | condensed chromosome |
| C | 0000805 | cellular_component | X chromosome |
| C | 0000806 | cellular_component | Y chromosome |
| C | 0001673 | cellular_component | male germ cell nucleus |
| C | 0004672 | molecular_function | protein kinase activity |
| C | 0004674 | molecular_function | protein serine/threonine kinase activity |
| C | 0004693 | molecular_function | cyclin-dependent protein serine/threonine kinase activity |
| C | 0005515 | molecular_function | protein binding |
| C | 0005524 | molecular_function | ATP binding |
| C | 0005634 | cellular_component | nucleus |
| C | 0005635 | cellular_component | nuclear envelope |
| C | 0005654 | cellular_component | nucleoplasm |
| C | 0005667 | cellular_component | transcription regulator complex |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005768 | cellular_component | endosome |
| C | 0005813 | cellular_component | centrosome |
| C | 0005829 | cellular_component | cytosol |
| C | 0005856 | cellular_component | cytoskeleton |
| C | 0006260 | biological_process | DNA replication |
| C | 0006281 | biological_process | DNA repair |
| C | 0006338 | biological_process | chromatin remodeling |
| C | 0006351 | biological_process | DNA-templated transcription |
| C | 0006468 | biological_process | protein phosphorylation |
| C | 0006813 | biological_process | potassium ion transport |
| C | 0007099 | biological_process | centriole replication |
| C | 0007165 | biological_process | signal transduction |
| C | 0007265 | biological_process | Ras protein signal transduction |
| C | 0007346 | biological_process | regulation of mitotic cell cycle |
| C | 0008284 | biological_process | positive regulation of cell population proliferation |
| C | 0010389 | biological_process | regulation of G2/M transition of mitotic cell cycle |
| C | 0010468 | biological_process | regulation of gene expression |
| C | 0015030 | cellular_component | Cajal body |
| C | 0016301 | molecular_function | kinase activity |
| C | 0018105 | biological_process | peptidyl-serine phosphorylation |
| C | 0019904 | molecular_function | protein domain specific binding |
| C | 0030332 | molecular_function | cyclin binding |
| C | 0031453 | biological_process | positive regulation of heterochromatin formation |
| C | 0031571 | biological_process | mitotic G1 DNA damage checkpoint signaling |
| C | 0032298 | biological_process | positive regulation of DNA-templated DNA replication initiation |
| C | 0035173 | molecular_function | histone kinase activity |
| C | 0043247 | biological_process | telomere maintenance in response to DNA damage |
| C | 0043687 | biological_process | post-translational protein modification |
| C | 0045740 | biological_process | positive regulation of DNA replication |
| C | 0045893 | biological_process | positive regulation of DNA-templated transcription |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0051298 | biological_process | centrosome duplication |
| C | 0051301 | biological_process | cell division |
| C | 0051321 | biological_process | meiotic cell cycle |
| C | 0071732 | biological_process | cellular response to nitric oxide |
| C | 0090398 | biological_process | cellular senescence |
| C | 0097123 | cellular_component | cyclin A1-CDK2 complex |
| C | 0097124 | cellular_component | cyclin A2-CDK2 complex |
| C | 0097134 | cellular_component | cyclin E1-CDK2 complex |
| C | 0097135 | cellular_component | cyclin E2-CDK2 complex |
| C | 0097472 | molecular_function | cyclin-dependent protein kinase activity |
| C | 0106310 | molecular_function | protein serine kinase activity |
| C | 1905784 | biological_process | regulation of anaphase-promoting complex-dependent catabolic process |
| D | 0016538 | molecular_function | cyclin-dependent protein serine/threonine kinase regulator activity |
| D | 0044772 | biological_process | mitotic cell cycle phase transition |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE ADP A 297 |
| Chain | Residue |
| A | ILE10 |
| A | LEU83 |
| A | ASP86 |
| A | GLN131 |
| A | ASN132 |
| A | LEU134 |
| A | ASP145 |
| A | MG298 |
| A | MG299 |
| A | MGF300 |
| A | HOH307 |
| A | GLY11 |
| A | HOH341 |
| A | HOH574 |
| A | GLY13 |
| A | THR14 |
| A | TYR15 |
| A | GLY16 |
| A | ALA31 |
| A | LYS33 |
| A | GLU81 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 298 |
| Chain | Residue |
| A | TYR15 |
| A | ASP145 |
| A | ADP297 |
| A | MGF300 |
| A | HOH306 |
| A | HOH333 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 299 |
| Chain | Residue |
| A | ASN132 |
| A | ASP145 |
| A | ADP297 |
| A | MGF300 |
| A | HOH341 |
| site_id | AC4 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE MGF A 300 |
| Chain | Residue |
| A | GLY13 |
| A | THR14 |
| A | TYR15 |
| A | ASP127 |
| A | LYS129 |
| A | ASN132 |
| A | ASP145 |
| A | ADP297 |
| A | MG298 |
| A | MG299 |
| A | HOH306 |
| A | HOH333 |
| A | HOH654 |
| K | THR0 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL A 301 |
| Chain | Residue |
| A | PRO130 |
| A | GLN131 |
| A | HOH360 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 302 |
| Chain | Residue |
| A | LYS105 |
| A | ASP256 |
| A | ASP258 |
| A | PRO284 |
| A | GLN287 |
| A | ASP288 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 303 |
| Chain | Residue |
| A | THR158 |
| A | TYR159 |
| A | TPO160 |
| A | HIS161 |
| A | GLU162 |
| A | HOH559 |
| B | TYR271 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 304 |
| Chain | Residue |
| A | GLY-1 |
| A | PHE4 |
| A | ASN23 |
| A | GLU28 |
| A | ASP68 |
| A | GOL305 |
| A | HOH448 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 305 |
| Chain | Residue |
| A | GLY-1 |
| A | ASP68 |
| A | GOL304 |
| D | LYS300 |
| site_id | BC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 1 |
| Chain | Residue |
| B | HIS233 |
| B | ASN237 |
| B | PRO309 |
| B | THR310 |
| B | VAL311 |
| B | HOH452 |
| site_id | BC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 3 |
| Chain | Residue |
| B | TYR199 |
| B | ARG202 |
| B | GLN203 |
| B | LEU243 |
| B | SER244 |
| B | SER247 |
| site_id | BC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B 6 |
| Chain | Residue |
| B | HOH91 |
| B | SER209 |
| B | ALA212 |
| B | ASP343 |
| B | HIS404 |
| B | GLN406 |
| B | HOH441 |
| B | HOH518 |
| site_id | BC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL B 8 |
| Chain | Residue |
| B | THR380 |
| B | HOH459 |
| B | HOH502 |
| site_id | BC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B 16 |
| Chain | Residue |
| B | TYR286 |
| B | GLN290 |
| B | HOH476 |
| B | HOH483 |
| L | LYS6 |
| B | GLY251 |
| B | LYS252 |
| B | THR285 |
| site_id | BC6 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE ADP C 297 |
| Chain | Residue |
| C | ILE10 |
| C | GLY11 |
| C | GLY13 |
| C | THR14 |
| C | TYR15 |
| C | GLY16 |
| C | ALA31 |
| C | LYS33 |
| C | GLU81 |
| C | LEU83 |
| C | ASP86 |
| C | LYS89 |
| C | GLN131 |
| C | ASN132 |
| C | LEU134 |
| C | ASP145 |
| C | MG298 |
| C | MG299 |
| C | MGF300 |
| C | HOH308 |
| C | HOH352 |
| C | HOH551 |
| C | HOH560 |
| C | HOH561 |
| site_id | BC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG C 298 |
| Chain | Residue |
| C | TYR15 |
| C | ASP145 |
| C | ADP297 |
| C | MGF300 |
| C | HOH304 |
| C | HOH551 |
| site_id | BC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG C 299 |
| Chain | Residue |
| C | ASN132 |
| C | ASP145 |
| C | ADP297 |
| C | MGF300 |
| C | HOH352 |
| site_id | BC9 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE MGF C 300 |
| Chain | Residue |
| C | GLY13 |
| C | THR14 |
| C | TYR15 |
| C | ASP127 |
| C | LYS129 |
| C | ASN132 |
| C | ASP145 |
| C | ADP297 |
| C | MG298 |
| C | MG299 |
| J | THR0 |
| J | HOH655 |
| site_id | CC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL C 301 |
| Chain | Residue |
| C | PRO130 |
| C | GLN131 |
| site_id | CC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL C 302 |
| Chain | Residue |
| C | LYS88 |
| C | MET91 |
| C | ASP92 |
| C | GLU195 |
| C | ARG199 |
| C | ARG200 |
| C | ALA201 |
| site_id | CC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL C 303 |
| Chain | Residue |
| C | LYS56 |
| C | LEU66 |
| C | VAL69 |
| C | HOH627 |
| site_id | CC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL D 2 |
| Chain | Residue |
| D | GLN379 |
| D | THR380 |
| site_id | CC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL D 5 |
| Chain | Residue |
| D | HIS233 |
| D | ASN237 |
| D | PRO309 |
| D | THR310 |
| D | VAL311 |
| D | LEU341 |
| D | HOH567 |
| site_id | CC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL D 7 |
| Chain | Residue |
| D | MET200 |
| D | GLN203 |
| D | ILE206 |
| D | THR207 |
| D | ASN208 |
| site_id | CC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL D 13 |
| Chain | Residue |
| D | LYS252 |
| D | GLN290 |
| M | LYS6 |
| site_id | CC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL D 15 |
| Chain | Residue |
| D | TYR199 |
| D | ARG202 |
| D | LEU243 |
| D | SER244 |
| D | MET246 |
| D | SER247 |
Functional Information from PROSITE/UniProt
| site_id | PS00107 |
| Number of Residues | 24 |
| Details | PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGEGTYGVVYkArnkltgev..........VALK |
| Chain | Residue | Details |
| A | ILE10-LYS33 |
| site_id | PS00108 |
| Number of Residues | 13 |
| Details | PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. VlHrDLKpqNLLI |
| Chain | Residue | Details |
| A | VAL123-ILE135 |
| site_id | PS00292 |
| Number of Residues | 32 |
| Details | CYCLINS Cyclins signature. RaiLvdWLvevgeeykLqnetLhlAVnYIDRF |
| Chain | Residue | Details |
| B | ARG211-PHE242 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton acceptor |
| Chain | Residue | Details |
| A | ASP127 | |
| C | ASP127 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 10 |
| Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702 |
| Chain | Residue | Details |
| A | ILE10 | |
| C | LYS129 | |
| A | LYS33 | |
| A | GLU81 | |
| A | ASP86 | |
| A | LYS129 | |
| C | ILE10 | |
| C | LYS33 | |
| C | GLU81 | |
| C | ASP86 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:21565702 |
| Chain | Residue | Details |
| A | ASN132 | |
| A | ASP145 | |
| C | ASN132 | |
| C | ASP145 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 6 |
| Details | SITE: CDK7 binding => ECO:0000269|PubMed:17373709 |
| Chain | Residue | Details |
| A | LYS9 | |
| A | LYS88 | |
| A | LEU166 | |
| C | LYS9 | |
| C | LYS88 | |
| C | LEU166 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | MOD_RES: N-acetylmethionine => ECO:0007744|PubMed:22814378 |
| Chain | Residue | Details |
| A | MET1 | |
| C | MET1 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861 |
| Chain | Residue | Details |
| A | LYS6 | |
| C | LYS6 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphothreonine => ECO:0000269|PubMed:1396589, ECO:0000269|PubMed:17095507 |
| Chain | Residue | Details |
| A | THR14 | |
| C | THR14 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphotyrosine; by WEE1 => ECO:0000269|PubMed:1396589, ECO:0000269|PubMed:17095507, ECO:0007744|PubMed:19690332 |
| Chain | Residue | Details |
| A | TYR15 | |
| C | TYR15 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphotyrosine => ECO:0007744|PubMed:19369195 |
| Chain | Residue | Details |
| A | TYR19 | |
| C | TYR19 |
| site_id | SWS_FT_FI10 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphothreonine; by CAK and CCRK => ECO:0000269|PubMed:1396589, ECO:0000269|PubMed:14597612, ECO:0000269|PubMed:16325401, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:17570665, ECO:0000269|PubMed:20147522, ECO:0000269|PubMed:20360007, ECO:0000269|PubMed:21565702, ECO:0000305|PubMed:28666995 |
| Chain | Residue | Details |
| A | TPO160 | |
| C | TPO160 |
