4QTE
Structure of ERK2 in complex with VTX-11e, 4-{2-[(2-CHLORO-4-FLUOROPHENYL)AMINO]-5-METHYLPYRIMIDIN-4-YL}-N-[(1S)-1-(3-CHLOROPHENYL)-2-HYDROXYETHYL]-1H-PYRROLE-2-CARBOXAMIDE
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000165 | biological_process | MAPK cascade |
| A | 0001784 | molecular_function | phosphotyrosine residue binding |
| A | 0003677 | molecular_function | DNA binding |
| A | 0004672 | molecular_function | protein kinase activity |
| A | 0004674 | molecular_function | protein serine/threonine kinase activity |
| A | 0004707 | molecular_function | MAP kinase activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005576 | cellular_component | extracellular region |
| A | 0005634 | cellular_component | nucleus |
| A | 0005654 | cellular_component | nucleoplasm |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005769 | cellular_component | early endosome |
| A | 0005770 | cellular_component | late endosome |
| A | 0005788 | cellular_component | endoplasmic reticulum lumen |
| A | 0005794 | cellular_component | Golgi apparatus |
| A | 0005813 | cellular_component | centrosome |
| A | 0005819 | cellular_component | spindle |
| A | 0005829 | cellular_component | cytosol |
| A | 0005856 | cellular_component | cytoskeleton |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0005901 | cellular_component | caveola |
| A | 0005925 | cellular_component | focal adhesion |
| A | 0006357 | biological_process | regulation of transcription by RNA polymerase II |
| A | 0006468 | biological_process | protein phosphorylation |
| A | 0006915 | biological_process | apoptotic process |
| A | 0006935 | biological_process | chemotaxis |
| A | 0006974 | biological_process | DNA damage response |
| A | 0007165 | biological_process | signal transduction |
| A | 0007166 | biological_process | cell surface receptor signaling pathway |
| A | 0007268 | biological_process | chemical synaptic transmission |
| A | 0007507 | biological_process | heart development |
| A | 0007611 | biological_process | learning or memory |
| A | 0008286 | biological_process | insulin receptor signaling pathway |
| A | 0008353 | molecular_function | RNA polymerase II CTD heptapeptide repeat kinase activity |
| A | 0009887 | biological_process | animal organ morphogenesis |
| A | 0010759 | biological_process | positive regulation of macrophage chemotaxis |
| A | 0010800 | biological_process | positive regulation of peptidyl-threonine phosphorylation |
| A | 0014032 | biological_process | neural crest cell development |
| A | 0014044 | biological_process | Schwann cell development |
| A | 0016020 | cellular_component | membrane |
| A | 0016301 | molecular_function | kinase activity |
| A | 0018105 | biological_process | peptidyl-serine phosphorylation |
| A | 0018107 | biological_process | peptidyl-threonine phosphorylation |
| A | 0019858 | biological_process | cytosine metabolic process |
| A | 0019902 | molecular_function | phosphatase binding |
| A | 0030278 | biological_process | regulation of ossification |
| A | 0030521 | biological_process | androgen receptor signaling pathway |
| A | 0030641 | biological_process | regulation of cellular pH |
| A | 0030878 | biological_process | thyroid gland development |
| A | 0031143 | cellular_component | pseudopodium |
| A | 0031647 | biological_process | regulation of protein stability |
| A | 0031663 | biological_process | lipopolysaccharide-mediated signaling pathway |
| A | 0032212 | biological_process | positive regulation of telomere maintenance via telomerase |
| A | 0032496 | biological_process | response to lipopolysaccharide |
| A | 0032872 | biological_process | regulation of stress-activated MAPK cascade |
| A | 0033598 | biological_process | mammary gland epithelial cell proliferation |
| A | 0034198 | biological_process | cellular response to amino acid starvation |
| A | 0034614 | biological_process | cellular response to reactive oxygen species |
| A | 0035094 | biological_process | response to nicotine |
| A | 0035556 | biological_process | intracellular signal transduction |
| A | 0035578 | cellular_component | azurophil granule lumen |
| A | 0038127 | biological_process | ERBB signaling pathway |
| A | 0038133 | biological_process | ERBB2-ERBB3 signaling pathway |
| A | 0042473 | biological_process | outer ear morphogenesis |
| A | 0042552 | biological_process | myelination |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0043330 | biological_process | response to exogenous dsRNA |
| A | 0043401 | biological_process | steroid hormone mediated signaling pathway |
| A | 0045202 | cellular_component | synapse |
| A | 0045596 | biological_process | negative regulation of cell differentiation |
| A | 0048009 | biological_process | insulin-like growth factor receptor signaling pathway |
| A | 0048538 | biological_process | thymus development |
| A | 0050847 | biological_process | progesterone receptor signaling pathway |
| A | 0050852 | biological_process | T cell receptor signaling pathway |
| A | 0050853 | biological_process | B cell receptor signaling pathway |
| A | 0051403 | biological_process | stress-activated MAPK cascade |
| A | 0051493 | biological_process | regulation of cytoskeleton organization |
| A | 0051973 | biological_process | positive regulation of telomerase activity |
| A | 0060020 | biological_process | Bergmann glial cell differentiation |
| A | 0060291 | biological_process | long-term synaptic potentiation |
| A | 0060324 | biological_process | face development |
| A | 0060425 | biological_process | lung morphogenesis |
| A | 0060440 | biological_process | trachea formation |
| A | 0060716 | biological_process | labyrinthine layer blood vessel development |
| A | 0061308 | biological_process | cardiac neural crest cell development involved in heart development |
| A | 0070161 | cellular_component | anchoring junction |
| A | 0070371 | biological_process | ERK1 and ERK2 cascade |
| A | 0070849 | biological_process | response to epidermal growth factor |
| A | 0071276 | biological_process | cellular response to cadmium ion |
| A | 0071356 | biological_process | cellular response to tumor necrosis factor |
| A | 0072584 | biological_process | caveolin-mediated endocytosis |
| A | 0072686 | cellular_component | mitotic spindle |
| A | 0090170 | biological_process | regulation of Golgi inheritance |
| A | 0106310 | molecular_function | protein serine kinase activity |
| A | 0120041 | biological_process | positive regulation of macrophage proliferation |
| A | 1904355 | biological_process | positive regulation of telomere capping |
| A | 1904813 | cellular_component | ficolin-1-rich granule lumen |
| A | 2000641 | biological_process | regulation of early endosome to late endosome transport |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 401 |
| Chain | Residue |
| A | ASN82 |
| A | TYR128 |
| A | GLN132 |
| A | ARG135 |
| A | LYS259 |
| A | HOH553 |
| A | HOH795 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 402 |
| Chain | Residue |
| A | GLN306 |
| A | HOH799 |
| A | HOH800 |
| A | HOH924 |
| A | ARG301 |
| A | GLU303 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 403 |
| Chain | Residue |
| A | GLY182 |
| A | TYR316 |
| A | HOH544 |
| A | HOH882 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 404 |
| Chain | Residue |
| A | ASN123 |
| A | ASN281 |
| A | ASP283 |
| A | HOH949 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO A 405 |
| Chain | Residue |
| A | HIS299 |
| A | HOH852 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO A 406 |
| Chain | Residue |
| A | LEU116 |
| A | GLU220 |
| A | ASN224 |
| A | ARG225 |
| A | PRO226 |
| A | HOH588 |
| A | HOH655 |
| A | HOH833 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 407 |
| Chain | Residue |
| A | ASN158 |
| A | THR159 |
| A | HOH666 |
| A | HOH839 |
| A | HOH930 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 408 |
| Chain | Residue |
| A | TYR113 |
| A | LYS151 |
| A | SER153 |
| A | THR190 |
| A | EDO415 |
| A | HOH526 |
| A | HOH826 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 409 |
| Chain | Residue |
| A | GLN62 |
| A | THR63 |
| A | HOH703 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 410 |
| Chain | Residue |
| A | LYS330 |
| A | PHE331 |
| A | HOH745 |
| A | HOH872 |
| site_id | BC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 411 |
| Chain | Residue |
| A | HIS120 |
| A | LEU121 |
| A | MET221 |
| A | LEU222 |
| A | ASN224 |
| A | HOH884 |
| site_id | BC3 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE EDO A 412 |
| Chain | Residue |
| A | TYR316 |
| site_id | BC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 413 |
| Chain | Residue |
| A | LYS272 |
| A | GLU326 |
| A | HOH578 |
| site_id | BC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 414 |
| Chain | Residue |
| A | ARG277 |
| A | GLU305 |
| A | HOH567 |
| A | HOH581 |
| A | HOH787 |
| A | HOH893 |
| site_id | BC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 415 |
| Chain | Residue |
| A | LYS151 |
| A | THR190 |
| A | EDO408 |
| A | HOH564 |
| site_id | BC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 416 |
| Chain | Residue |
| A | LYS207 |
| A | HOH659 |
| A | HOH776 |
| A | HOH786 |
| A | HOH893 |
| site_id | BC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 417 |
| Chain | Residue |
| A | LEU264 |
| A | LEU265 |
| A | LEU267 |
| A | HIS269 |
| A | HOH652 |
| site_id | BC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 418 |
| Chain | Residue |
| A | PRO268 |
| A | HIS269 |
| A | LYS270 |
| A | HOH805 |
| A | HOH806 |
| A | HOH956 |
| site_id | CC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 419 |
| Chain | Residue |
| A | SER266 |
| A | SER266 |
| A | HOH901 |
| A | HOH901 |
| A | HOH919 |
| site_id | CC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 420 |
| Chain | Residue |
| A | EDO421 |
| A | HOH641 |
| A | HOH898 |
| site_id | CC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 421 |
| Chain | Residue |
| A | GLU314 |
| A | GLN315 |
| A | EDO420 |
| A | HOH620 |
| A | HOH664 |
| site_id | CC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 422 |
| Chain | Residue |
| A | LEU116 |
| A | ASN224 |
| A | HOH655 |
| A | HOH702 |
| site_id | CC5 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SO4 A 423 |
| Chain | Residue |
| A | ARG191 |
| A | ARG194 |
| A | TYR233 |
| A | HOH656 |
| A | HOH668 |
| A | HOH698 |
| A | HOH775 |
| A | HOH796 |
| A | HOH856 |
| A | HOH856 |
| site_id | CC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 A 424 |
| Chain | Residue |
| A | ASP283 |
| A | LYS285 |
| A | PRO311 |
| A | TYR312 |
| A | GLN315 |
| A | HOH647 |
| A | HOH733 |
| A | HOH947 |
| site_id | CC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 A 425 |
| Chain | Residue |
| A | ARG77 |
| A | TYR139 |
| A | ASN271 |
| A | ALA325 |
| A | GLU326 |
| A | HOH629 |
| A | HOH763 |
| A | HOH905 |
| site_id | CC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 426 |
| Chain | Residue |
| A | VAL14 |
| A | ARG15 |
| A | SER29 |
| A | TYR30 |
| A | HOH932 |
| site_id | CC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL A 427 |
| Chain | Residue |
| A | HIS232 |
| A | HIS232 |
| A | LEU234 |
| A | LEU234 |
| site_id | DC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL A 428 |
| Chain | Residue |
| A | HIS180 |
| A | ASN201 |
| A | ILE256 |
| A | ASN257 |
| site_id | DC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 429 |
| Chain | Residue |
| A | ARG148 |
| A | ARG172 |
| A | HOH704 |
| A | HOH952 |
| A | HOH953 |
| site_id | DC3 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE 390 A 430 |
| Chain | Residue |
| A | ILE31 |
| A | GLY34 |
| A | TYR36 |
| A | GLY37 |
| A | MET38 |
| A | VAL39 |
| A | ALA52 |
| A | LYS54 |
| A | GLN105 |
| A | ASP106 |
| A | MET108 |
| A | GLU109 |
| A | ASP111 |
| A | LYS114 |
| A | ASN154 |
| A | LEU156 |
| A | ASP167 |
| A | HOH523 |
| A | HOH600 |
| A | HOH628 |
| A | HOH823 |
Functional Information from PROSITE/UniProt
| site_id | PS00107 |
| Number of Residues | 25 |
| Details | PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGEGAYGMVCsAydnvnkvrv.........AIKK |
| Chain | Residue | Details |
| A | ILE31-LYS55 |
| site_id | PS00108 |
| Number of Residues | 13 |
| Details | PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. VlHrDLKpsNLLL |
| Chain | Residue | Details |
| A | VAL145-LEU157 |
| site_id | PS01351 |
| Number of Residues | 103 |
| Details | MAPK MAP kinase signature. FehqtycqrtlREikillrfrheniigindiiraptieqmkdvyivqdlmetdlykllktqhlsndhicyflyqilrglkyihsanvlh..........RDlKpsnlllnttC |
| Chain | Residue | Details |
| A | PHE59-CYS161 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 18 |
| Details | DNA_BIND: |
| Chain | Residue | Details |
| A | LYS259-ARG277 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027 |
| Chain | Residue | Details |
| A | ASP149 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 |
| Chain | Residue | Details |
| A | LYS54 | |
| A | ILE31 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | MOD_RES: N-acetylalanine => ECO:0000269|PubMed:12665801, ECO:0007744|PubMed:19413330, ECO:0007744|PubMed:22223895, ECO:0007744|PubMed:22814378 |
| Chain | Residue | Details |
| A | ALA2 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine; by SGK1 => ECO:0000269|PubMed:19447520 |
| Chain | Residue | Details |
| A | SER29 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphothreonine; by MAP2K1 and MAP2K2 => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| A | THR185 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphotyrosine; by MAP2K1 and MAP2K2 => ECO:0000269|PubMed:19053285, ECO:0000269|PubMed:19494114, ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| A | TYR187 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphothreonine; by autocatalysis => ECO:0000269|PubMed:19060905 |
| Chain | Residue | Details |
| A | THR190 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine => ECO:0000269|PubMed:18760948 |
| Chain | Residue | Details |
| A | SER248 | |
| A | SER246 |
| site_id | SWS_FT_FI10 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:19369195 |
| Chain | Residue | Details |
| A | SER284 |
