3GT8

crystal structure of the inactive egfr kinase domain in complex with amp-pnp

• Total interactions analyzed: 10
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 144
  • Norm. En. per Res.: -2.9058
• Hub Node: B(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-D	-26.9034	23.6007	-381.32	-384.6226	151	22	12	15894	11	56	73
B-C	-32.8235	14.771	-400.378	-418.4306	144	25	12	16317	9	51	57
B-D	-2.9928	-9.1043	-65.8758	-77.9729	43	1	1	3012	2	17	17
B-X	-19.1534	0.0	-68.4024	-87.5558	40	10	0	3253	0	0	0
C-X	0.0	0.0	-7.2284	-7.2284	18	0	0	544	0	0	0

Interface residues

• A-D: ALA678A, ALA678D, ALA719A, ALA719D, ALA743A, ALA976A, ALA976D, ARG681A, ARG681D, ARG752A, ARG752D, ARG779D, ARG975A, ARG975D, ASN676A, ASN784A, ASN784D, ASN972A, ASN972D, ASP776A, ASP776D, ASP970A, ASP970D, ASP979A, ASP979D, ASP982A, ASP982D, ASP984A, ASP985D, CYS773A, CYS773D, GLN677A, GLN677D, GLN767A, GLN767D, GLN825A, GLN825D, GLU687A, GLU687D, GLU710A, GLU710D, GLU712A, GLU712D, GLU780A, GLU780D, GLU980A, GLU980D, GLU981A, GLU981D, GLY705D, GLY711A, GLY711D, GLY755A, GLY755D, GLY772A, GLY772D, HIS781A, HIS781D, HIS826A, HIS826D, ILE682A, ILE682D, ILE708A, ILE708D, ILE716A, ILE716D, ILE720A, ILE720D, ILE756A, ILE756D, ILE765A, ILE765D, ILE785A, LEU679A, LEU679D, LEU680A, LEU680D, LEU683A, LEU683D, LEU706D, LEU753A, LEU753D, LEU754A, LEU754D, LEU764A, LEU768A, LEU768D, LEU774D, LEU977A, LEU977D, LYS692A, LYS704A, LYS713A, LYS713D, LYS715A, LYS715D, LYS822A, LYS822D, LYS828A, LYS828D, MET769A, MET769D, MET978A, MET978D, MET983A, MET983D, PHE688A, PHE688D, PHE771A, PHE771D, PHE973A, PHE973D, PRO709A, PRO709D, PRO717A, PRO717D, PRO748A, PRO770A, PRO770D, PRO824A, PRO824D, PRO966A, PRO968A, PRO968D, SER967A, SER967D, SER971A, SER971D, THR766A, THR766D, THR823A, THR823D, THR969A, THR969D, TRP707A, TRP707D, TYR740A, TYR740D, TYR777A, TYR777D, TYR789A, TYR789D, TYR974A, TYR974D, VAL714A, VAL714D, VAL718A, VAL718D, VAL778D, VAL821A, VAL821D
• B-C: ALA678B, ALA678C, ALA719B, ALA719C, ALA743C, ALA976B, ALA976C, ARG681B, ARG681C, ARG752B, ARG752C, ARG779C, ARG975B, ARG975C, ASN676C, ASN784B, ASN784C, ASN972B, ASN972C, ASP746B, ASP776B, ASP776C, ASP970B, ASP970C, ASP979B, ASP979C, ASP982B, ASP982C, CYS773B, GLN677B, GLN677C, GLN767B, GLN767C, GLN825B, GLN825C, GLU687B, GLU687C, GLU710B, GLU710C, GLU712B, GLU712C, GLU780B, GLU780C, GLU980B, GLU980C, GLU981B, GLU981C, GLY705C, GLY711B, GLY711C, GLY755B, GLY755C, GLY772B, GLY772C, HIS781B, HIS781C, HIS826B, HIS826C, HIS964B, HIS964C, ILE682B, ILE682C, ILE708B, ILE708C, ILE716B, ILE716C, ILE720C, ILE756B, ILE756C, ILE765B, ILE765C, ILE785C, LEU679B, LEU679C, LEU680B, LEU680C, LEU683B, LEU683C, LEU706B, LEU706C, LEU753B, LEU753C, LEU754B, LEU754C, LEU768B, LEU768C, LEU774B, LEU977B, LEU977C, LYS704B, LYS713B, LYS713C, LYS715B, LYS715C, LYS822B, LYS822C, LYS828B, LYS828C, MET769B, MET769C, MET978B, MET978C, PHE688B, PHE688C, PHE771B, PHE771C, PHE973B, PHE973C, PRO709B, PRO709C, PRO717B, PRO717C, PRO748B, PRO770B, PRO770C, PRO824B, PRO824C, PRO968B, PRO968C, SER967B, SER967C, SER971B, SER971C, THR766B, THR766C, THR823B, THR823C, THR969B, THR969C, TRP707B, TRP707C, TYR740B, TYR740C, TYR777B, TYR777C, TYR789C, TYR974B, TYR974C, VAL714B, VAL714C, VAL718B, VAL718C, VAL821B, VAL821C
• B-D: ARG908B, ARG908D, ARG924D, ASP892B, ASP918D, CYS915D, GLN911B, GLN911D, GLU898B, GLU907B, GLU907D, GLU943D, GLY893B, GLY906D, ILE894B, ILE899B, ILE902B, ILE917D, ILE922D, LEU903B, LEU909D, LYS782B, LYS889B, LYS905B, LYS905D, LYS925D, LYS946D, MET921D, MET928D, MET947D, PRO895B, PRO910B, PRO910D, PRO912D, PRO913D, SER897B, SER900B, SER901B, THR916D, TYR891B, TYR920D, TYR954D, VAL919D
• B-X: ALA678B, ALA739B, ALA743B, ARG752B, ARG807B, ARG975B, ASN747B, ASP737B, ASP746B, ASP982B, GLN677B, GLU738B, GLU981B, HIS749B, HIS826B, LEU679B, LEU680B, LEU736B, LEU754B, LEU809B, LYS799B, MET742B, MET983B, PRO748B, SER744B, TYR740B, TYR803B, UNK984X, UNK985X, UNK986X, UNK987X, UNK988X, UNK989X, UNK990X, UNK991X, UNK992X, UNK993X, UNK994X, VAL741B, VAL745B
• C-X: ALA976C, ARG975C, ASN972C, ASP979C, ASP982C, GLU980C, GLU981C, PHE973C, THR969C, UNK984X, UNK986X, UNK987X, UNK988X, UNK989X, UNK990X, UNK991X, UNK992X, UNK993X