eF-site ID 6p69-B PDB Code 6p69 Chain B click to enlarge Title Crystal structure of FGFR1-Y563C (FGFR4 surrogate) covalently bound to compound 11. Classification TRANSFERASE Compound Fibroblast growth factor receptor 1 Source (FGFR1_HUMAN) Sequence B:  SEYELPEDPRWELPRDRLVLGKPLGEGAFGQVVLAEAIGL PNRVTKVAVKMLKSDATEKDLSDLISEMEMMKMIGKHKNI INLLGACTQDGPLYVIVECASKGNLREYLQARRPPEEQLS SKDLVSCAYQVARGMEYLASKKCIHRDLAARNVLVTEDNV MKIADFGLARDIHHIDYYKKTTNGRLPVKWMAPEALFDRI YTHQSDVWSFGVLLWEIFTLGGSPYPGVPVEELFKLLKEG HRMDKPSNCTNELYMMMRDCWHAVPSQRPTFKQLVEDLDR IVALTS Description (1)  Fibroblast growth factor receptor 1 (E.C.2.7.10.1) Functional site 1) chain B residue 570 type ligand sequence R description binding site for residue SO4 B 801 source : AC5 2) chain B residue 627 type ligand sequence R description binding site for residue SO4 B 801 source : AC5 3) chain B residue 657 type ligand sequence T description binding site for residue SO4 B 801 source : AC5 4) chain B residue 659 type ligand sequence N description binding site for residue SO4 B 801 source : AC5 5) chain B residue 661 type ligand sequence R description binding site for residue SO4 B 801 source : AC5 6) chain B residue 574 type ligand sequence Q description binding site for residue SO4 B 802 source : AC6 7) chain B residue 659 type ligand sequence N description binding site for residue SO4 B 802 source : AC6 8) chain B residue 661 type ligand sequence R description binding site for residue SO4 B 802 source : AC6 9) chain B residue 699 type ligand sequence S description binding site for residue SO4 B 802 source : AC6 10) chain B residue 684 type ligand sequence W description binding site for residue EDO B 803 source : AC7 11) chain B residue 701 type ligand sequence Y description binding site for residue EDO B 803 source : AC7 12) chain B residue 713 type ligand sequence L description binding site for residue EDO B 803 source : AC7 13) chain B residue 718 type ligand sequence R description binding site for residue EDO B 803 source : AC7 14) chain B residue 719 type ligand sequence M description binding site for residue EDO B 803 source : AC7 15) chain B residue 737 type ligand sequence W description binding site for residue EDO B 803 source : AC7 16) chain B residue 484 type ligand sequence L description binding site for Di-peptide O21 B 804 and CYS B 563 source : AC8 17) chain B residue 492 type ligand sequence V description binding site for Di-peptide O21 B 804 and CYS B 563 source : AC8 18) chain B residue 494 type ligand sequence L description binding site for Di-peptide O21 B 804 and CYS B 563 source : AC8 19) chain B residue 510 type ligand sequence K description binding site for Di-peptide O21 B 804 and CYS B 563 source : AC8 20) chain B residue 514 type ligand sequence K description binding site for Di-peptide O21 B 804 and CYS B 563 source : AC8 21) chain B residue 531 type ligand sequence E description binding site for Di-peptide O21 B 804 and CYS B 563 source : AC8 22) chain B residue 535 type ligand sequence M description binding site for Di-peptide O21 B 804 and CYS B 563 source : AC8 23) chain B residue 559 type ligand sequence V description binding site for Di-peptide O21 B 804 and CYS B 563 source : AC8 24) chain B residue 561 type ligand sequence V description binding site for Di-peptide O21 B 804 and CYS B 563 source : AC8 25) chain B residue 562 type ligand sequence E description binding site for Di-peptide O21 B 804 and CYS B 563 source : AC8 26) chain B residue 564 type ligand sequence A description binding site for Di-peptide O21 B 804 and CYS B 563 source : AC8 27) chain B residue 565 type ligand sequence S description binding site for Di-peptide O21 B 804 and CYS B 563 source : AC8 28) chain B residue 630 type ligand sequence L description binding site for Di-peptide O21 B 804 and CYS B 563 source : AC8 29) chain B residue 640 type ligand sequence A description binding site for Di-peptide O21 B 804 and CYS B 563 source : AC8 30) chain B residue 641 type ligand sequence D description binding site for Di-peptide O21 B 804 and CYS B 563 source : AC8 31) chain B residue 642 type ligand sequence F description binding site for Di-peptide O21 B 804 and CYS B 563 source : AC8 32) chain B residue 484-485 type binding ligand O21: N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide sequence LG description N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide binding site source pdb_hetatom : O21_6p69_B_804 33) chain B residue 492 type binding ligand O21: N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide sequence V description N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide binding site source pdb_hetatom : O21_6p69_B_804 34) chain B residue 494 type binding ligand O21: N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide sequence L description N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide binding site source pdb_hetatom : O21_6p69_B_804 35) chain B residue 510 type binding ligand O21: N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide sequence K description N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide binding site source pdb_hetatom : O21_6p69_B_804 36) chain B residue 512-514 type binding ligand O21: N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide sequence AVK description N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide binding site source pdb_hetatom : O21_6p69_B_804 37) chain B residue 528 type binding ligand O21: N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide sequence L description N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide binding site source pdb_hetatom : O21_6p69_B_804 38) chain B residue 531 type binding ligand O21: N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide sequence E description N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide binding site source pdb_hetatom : O21_6p69_B_804 39) chain B residue 535 type binding ligand O21: N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide sequence M description N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide binding site source pdb_hetatom : O21_6p69_B_804 40) chain B residue 545 type binding ligand O21: N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide sequence I description N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide binding site source pdb_hetatom : O21_6p69_B_804 41) chain B residue 559 type binding ligand O21: N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide sequence V description N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide binding site source pdb_hetatom : O21_6p69_B_804 42) chain B residue 561-565 type binding ligand O21: N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide sequence VECAS description N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide binding site source pdb_hetatom : O21_6p69_B_804 43) chain B residue 567 type binding ligand O21: N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide sequence G description N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide binding site source pdb_hetatom : O21_6p69_B_804 44) chain B residue 571 type binding ligand O21: N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide sequence E description N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide binding site source pdb_hetatom : O21_6p69_B_804 45) chain B residue 630 type binding ligand O21: N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide sequence L description N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide binding site source pdb_hetatom : O21_6p69_B_804 46) chain B residue 640-643 type binding ligand O21: N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide sequence ADFG description N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide binding site source pdb_hetatom : O21_6p69_B_804 47) chain B residue 665 type binding ligand EDO: 1,2-ETHANEDIOL sequence K description 1,2-ETHANEDIOL binding site source pdb_hetatom : EDO_6p69_B_803 48) chain B residue 684 type binding ligand EDO: 1,2-ETHANEDIOL sequence W description 1,2-ETHANEDIOL binding site source pdb_hetatom : EDO_6p69_B_803 49) chain B residue 688 type binding ligand EDO: 1,2-ETHANEDIOL sequence V description 1,2-ETHANEDIOL binding site source pdb_hetatom : EDO_6p69_B_803 50) chain B residue 701 type binding ligand EDO: 1,2-ETHANEDIOL sequence Y description 1,2-ETHANEDIOL binding site source pdb_hetatom : EDO_6p69_B_803 51) chain B residue 713 type binding ligand EDO: 1,2-ETHANEDIOL sequence L description 1,2-ETHANEDIOL binding site source pdb_hetatom : EDO_6p69_B_803 52) chain B residue 717-719 type binding ligand EDO: 1,2-ETHANEDIOL sequence HRM description 1,2-ETHANEDIOL binding site source pdb_hetatom : EDO_6p69_B_803 53) chain B residue 737 type binding ligand EDO: 1,2-ETHANEDIOL sequence W description 1,2-ETHANEDIOL binding site source pdb_hetatom : EDO_6p69_B_803

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