3LZB

egfr kinase domain complexed with an imidazo[2,1-b]thiazole inhibitor

• Total interactions analyzed: 28
• Total true interactions: 9
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 59
  • Norm. En. per Res.: -1.9216
• Hub Node: A(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-B	0.0	2.4903	-75.7286	-73.2383	65	11	0	4336	0	46	47
A-C	0.0	-11.1623	-43.425	-54.5873	44	3	1	2426	0	20	21
A-F	0.0	0.0	-26.1543	-26.1543	25	11	0	1885	0	0	0
B-C	0.0	-6.0158	-26.2945	-32.3103	31	9	0	1866	0	14	11
B-D	0.0	-0.9211	-49.8252	-50.7463	51	0	1	2911	0	20	19
B-E	0.0	0.0	-27.1107	-27.1107	31	13	0	2502	0	0	0
C-D	-11.1913	-40.6906	-61.492	-113.3739	59	8	0	3133	1	35	43
C-G	0.0	0.0	-38.2438	-38.2438	23	12	0	1907	0	0	0
D-H	-3.4172	0.0	-5.6293	-9.0466	29	16	0	2350	0	0	0

Interface residues

• A-B: ALA698A, ARG724A, ARG779A, ARG807B, ARG808B, ARG817A, ARG934B, ARG938B, ARG949B, ASN747B, ASN784A, ASN802B, ASP746B, ASP776A, ASP783A, ASP806B, ASP892A, ASP930B, ASP932B, CYS773A, GLN870B, GLU722A, GLU780A, GLU805B, GLU939B, GLU943B, GLY695A, GLY697A, GLY700A, GLY887A, GLY893A, HIS781A, HIS869B, ILE691A, ILE922B, ILE941B, ILE942B, LEU694A, LEU775A, LEU804B, LEU809B, LYS692A, LYS782A, LYS851A, LYS889A, LYS925B, LYS936B, LYS946B, MET928B, MET947B, PHE944B, PRO895A, PRO935B, SER696A, SER933B, SER945B, THR701A, THR761A, TYR703A, TYR777A, TYR803B, TYR954B, VAL693A, VAL702A, VAL778A
• A-C: ARG908A, ARG908C, ARG924A, ARG924C, ASP892A, ASP918C, ASP930C, GLN911A, GLN911C, GLU898A, GLU904A, GLU904C, GLU907A, GLU907C, GLY893A, GLY906A, GLY906C, ILE894A, ILE899A, ILE902A, ILE902C, ILE917C, ILE929C, LEU903A, LEU903C, LEU909A, LEU909C, LYS889A, LYS905A, LYS905C, LYS925C, MET921C, MET928C, PRO895A, PRO910A, PRO910C, PRO913A, SER888A, SER900A, SER901A, THR885A, TRP881A, TYR891A, TYR920C
• A-F: ALA719A, ARG681A, ARG752A, GLN767A, GLY755A, ILE716A, ILE765A, LEU679A, LEU683A, LEU754A, LEU768A, LYS822A, LYS828A, PRO709A, PRO717A, THR766A, TRP707A, UNK10F, UNK11F, UNK12F, UNK13F, UNK14F, UNK8F, UNK9F, VAL718A
• B-C: ALA896C, ARG908B, ARG924B, ASP892C, ASP918B, GLN911B, GLU898C, GLU904C, GLU907B, GLU907C, GLY893C, GLY906B, ILE894C, ILE899C, ILE902C, ILE917B, ILE922B, LEU903C, LYS905B, LYS905C, LYS925B, MET921B, MET923B, MET928B, PRO895C, SER897C, SER900C, SER901C, SER933B, TYR920B, VAL919B
• B-D: ARG908B, ARG908D, ARG924D, ASP892B, ASP918D, ASP930D, CYS915D, GLN911B, GLN911D, GLU898B, GLU904B, GLU904D, GLU907B, GLU907D, GLY887B, GLY893B, GLY906D, ILE894B, ILE899B, ILE902B, ILE902D, ILE917D, ILE929D, LEU903B, LEU903D, LEU909B, LEU909D, LYS782B, LYS889B, LYS905B, LYS905D, LYS925D, MET921D, MET928D, PRO890B, PRO895B, PRO910B, PRO910D, PRO912B, PRO913B, SER888B, SER897B, SER900B, SER901B, SER933D, THR885B, THR916D, TRP881B, TYR891B, TYR920B, TYR920D
• B-E: ALA719B, ARG681B, ARG752B, GLN767B, GLU687B, GLU710B, GLY755B, ILE682B, ILE716B, ILE765B, LEU679B, LEU680B, LEU683B, LEU753B, LEU754B, LEU768B, LYS822B, PRO709B, PRO717B, THR766B, TRP707B, UNK10E, UNK11E, UNK12E, UNK13E, UNK14E, UNK15E, UNK7E, UNK8E, UNK9E, VAL718B
• C-D: ALA698C, ARG724C, ARG779C, ARG807D, ARG808D, ARG817C, ARG938D, ARG949D, ASN747D, ASN802D, ASP746D, ASP776C, ASP806D, ASP932D, GLN870D, GLU722C, GLU725C, GLU780C, GLU805D, GLU939D, GLU943D, GLY695C, GLY697C, GLY700C, HIS749D, HIS869D, ILE691C, ILE941D, ILE942D, LEU694C, LEU723C, LEU775C, LEU804D, LEU809D, LYS689C, LYS690C, LYS692C, LYS782C, LYS799D, LYS851C, LYS889C, LYS925D, LYS936D, LYS946D, MET801D, PHE699C, PHE937D, PRO748D, PRO895C, SER696C, SER760C, SER933D, THR701C, THR761C, TYR703C, TYR803D, VAL693C, VAL702C, VAL810D
• C-G: ALA719C, ARG681C, ARG752C, GLN767C, ILE716C, ILE765C, LEU683C, LEU754C, LEU768C, LYS822C, LYS828C, PRO709C, PRO717C, THR766C, TRP707C, UNK10G, UNK11G, UNK12G, UNK6G, UNK7G, UNK8G, UNK9G, VAL718C
• D-H: ALA719D, ARG681D, ARG752D, GLN767D, GLU710D, GLU712D, GLY755D, ILE716D, ILE765D, LEU679D, LEU680D, LEU683D, LEU753D, LEU754D, LEU768D, PRO709D, PRO717D, THR766D, TRP707D, UNK10H, UNK11H, UNK12H, UNK13H, UNK5H, UNK6H, UNK7H, UNK8H, UNK9H, VAL718D