eF-site ID 2gmx-ABFG PDB Code 2gmx Chain A, B, F, G click to enlarge Title Selective Aminopyridine-Based C-Jun N-terminal Kinase inhibitors with cellular activity Classification TRANSCRIPTION Compound Mitogen-activated protein kinase 8 Source Homo sapiens (Human) (JIP1_HUMAN) Sequence A:  NNFYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAI LERNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIIG LLNVFTPQKSLEEFQDVYIVMELMDANLCQVIQMELDHER MSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKI LDFGLARTAGTSFMMEPEVVTRYYRAPEVILGMGYKENVD LWSVGCIMGEMVCHKILFPGRDYIDQWNKVIEQLGTPCPE FMKKLQPTVRTYVENRPKYAGYSFEKLFPDVLFPADSEHN KLKASQARDLLSKMLVIDASKRISVDEALQHPYINVWYDP SEAEAPPPKIPDKQLDEREHTIEEWKELIYKEVMDLEH B:  DNNFYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDA ILERNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNII GLLNVFTPQKSLEEFQDVYIVMELMDANLCQVIQMELDHE RMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLK ILDFGLARTAGTSFMMEPEVVTRYYRAPEVILGMGYKENV DLWSVGCIMGEMVCHKILFPGRDYIDQWNKVIEQLGTPCP EFMKKLQPTVRTYVENRPKYAGYSFEKLFPDVLFPADSEH NKLKASQARDLLSKMLVIDASKRISVDEALQHPYINVWYD PSEAEAPPPKIPDKQLDEREHTIEEWKELIYKEVMDLE F:  PKRPTTLNLF G:  PKRPTTLNLF Description Functional site 1) chain A residue 185 type sequence E description BINDING SITE FOR RESIDUE SO4 A 501 source : AC1 2) chain A residue 189 type sequence R description BINDING SITE FOR RESIDUE SO4 A 501 source : AC1 3) chain A residue 192 type sequence R description BINDING SITE FOR RESIDUE SO4 A 501 source : AC1 4) chain A residue 230 type sequence Y description BINDING SITE FOR RESIDUE SO4 A 501 source : AC1 5) chain B residue 255 type sequence T description BINDING SITE FOR RESIDUE SO4 A 501 source : AC1 6) chain A residue 69 type sequence R description BINDING SITE FOR RESIDUE SO4 A 601 source : AC2 7) chain A residue 72 type sequence R description BINDING SITE FOR RESIDUE SO4 A 601 source : AC2 8) chain A residue 150 type sequence R description BINDING SITE FOR RESIDUE SO4 A 601 source : AC2 9) chain A residue 174 type sequence R description BINDING SITE FOR RESIDUE SO4 A 601 source : AC2 10) chain A residue 255 type sequence T description BINDING SITE FOR RESIDUE SO4 B 701 source : AC3 11) chain B residue 189 type sequence R description BINDING SITE FOR RESIDUE SO4 B 701 source : AC3 12) chain B residue 230 type sequence Y description BINDING SITE FOR RESIDUE SO4 B 701 source : AC3 13) chain B residue 69 type sequence R description BINDING SITE FOR RESIDUE SO4 B 801 source : AC4 14) chain B residue 72 type sequence R description BINDING SITE FOR RESIDUE SO4 B 801 source : AC4 15) chain B residue 150 type sequence R description BINDING SITE FOR RESIDUE SO4 B 801 source : AC4 16) chain B residue 174 type sequence R description BINDING SITE FOR RESIDUE SO4 B 801 source : AC4 17) chain A residue 32 type sequence I description BINDING SITE FOR RESIDUE 877 A 901 source : AC5 18) chain A residue 40 type sequence V description BINDING SITE FOR RESIDUE 877 A 901 source : AC5 19) chain A residue 55 type sequence K description BINDING SITE FOR RESIDUE 877 A 901 source : AC5 20) chain A residue 86 type sequence I description BINDING SITE FOR RESIDUE 877 A 901 source : AC5 21) chain A residue 108 type sequence M description BINDING SITE FOR RESIDUE 877 A 901 source : AC5 22) chain A residue 109 type sequence E description BINDING SITE FOR RESIDUE 877 A 901 source : AC5 23) chain A residue 110 type sequence L description BINDING SITE FOR RESIDUE 877 A 901 source : AC5 24) chain A residue 111 type sequence M description BINDING SITE FOR RESIDUE 877 A 901 source : AC5 25) chain A residue 112 type sequence D description BINDING SITE FOR RESIDUE 877 A 901 source : AC5 26) chain A residue 113 type sequence A description BINDING SITE FOR RESIDUE 877 A 901 source : AC5 27) chain A residue 158 type sequence V description BINDING SITE FOR RESIDUE 877 A 901 source : AC5 28) chain B residue 30 type sequence K description BINDING SITE FOR RESIDUE 877 B 1001 source : AC6 29) chain B residue 32 type sequence I description BINDING SITE FOR RESIDUE 877 B 1001 source : AC6 30) chain B residue 40 type sequence V description BINDING SITE FOR RESIDUE 877 B 1001 source : AC6 31) chain B residue 53 type sequence A description BINDING SITE FOR RESIDUE 877 B 1001 source : AC6 32) chain B residue 55 type sequence K description BINDING SITE FOR RESIDUE 877 B 1001 source : AC6 33) chain B residue 108 type sequence M description BINDING SITE FOR RESIDUE 877 B 1001 source : AC6 34) chain B residue 109 type sequence E description BINDING SITE FOR RESIDUE 877 B 1001 source : AC6 35) chain B residue 110 type sequence L description BINDING SITE FOR RESIDUE 877 B 1001 source : AC6 36) chain B residue 111 type sequence M description BINDING SITE FOR RESIDUE 877 B 1001 source : AC6 37) chain B residue 112 type sequence D description BINDING SITE FOR RESIDUE 877 B 1001 source : AC6 38) chain B residue 114 type sequence N description BINDING SITE FOR RESIDUE 877 B 1001 source : AC6 39) chain B residue 158 type sequence V description BINDING SITE FOR RESIDUE 877 B 1001 source : AC6 40) chain B residue 168 type sequence L description BINDING SITE FOR RESIDUE 877 B 1001 source : AC6 41) chain A residue 116 type MOD_RES sequence C description S-nitrosocysteine => ECO:0000250|UniProtKB:P49185 source Swiss-Prot : SWS_FT_FI3 42) chain B residue 116 type MOD_RES sequence C description S-nitrosocysteine => ECO:0000250|UniProtKB:P49185 source Swiss-Prot : SWS_FT_FI3 43) chain A residue 183 type MOD_RES sequence E description Phosphothreonine; by MAP2K7 => ECO:0000269|PubMed:11062067 source Swiss-Prot : SWS_FT_FI4 44) chain B residue 183 type MOD_RES sequence E description Phosphothreonine; by MAP2K7 => ECO:0000269|PubMed:11062067 source Swiss-Prot : SWS_FT_FI4 45) chain A residue 185 type MOD_RES sequence E description Phosphotyrosine; by MAP2K4 => ECO:0000269|PubMed:11062067 source Swiss-Prot : SWS_FT_FI5 46) chain B residue 185 type MOD_RES sequence E description Phosphotyrosine; by MAP2K4 => ECO:0000269|PubMed:11062067 source Swiss-Prot : SWS_FT_FI5 47) chain A residue 147-159 type prosite sequence IIHRDLKPSNIVV description PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IiHrDLKpsNIVV source prosite : PS00108 48) chain A residue 61-163 type prosite sequence FQNQTHAKRAYRELVLMKCVNHKNIIGLLNVFTPQKSLEE FQDVYIVMELMDANLCQVIQMELDHERMSYLLYQMLCGIK HLHSAGIIHRDLKPSNIVVKSDC description MAPK MAP kinase signature. FqnqthakrayRElvlmkcvnhkniigllnvftpqksleefqdvyivmelmdanlcqviqmeldhermsyllyqmlcgikhlhsagiih..........RDlKpsnivvksdC source prosite : PS01351 49) chain A residue 151 type ACT_SITE sequence D description Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027 source Swiss-Prot : SWS_FT_FI1 50) chain B residue 151 type ACT_SITE sequence D description Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027 source Swiss-Prot : SWS_FT_FI1 51) chain A residue 32 type BINDING sequence I description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 52) chain A residue 55 type BINDING sequence K description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 53) chain B residue 32 type BINDING sequence I description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2 54) chain B residue 55 type BINDING sequence K description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 source Swiss-Prot : SWS_FT_FI2

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