3NEY

crystal structure of the kinase domain of mpp1/p55

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 47
  • Norm. En. per Res.: -3.1576
• Hub Node: A(5)

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	-17.8113	0.0	-116.445	-134.2563	68	0	0	4602	0	13	6
A-C	-36.7993	9.024	-94.5973	-122.3726	42	8	0	3474	0	8	5
A-D	0.0	0.0	-2.0578	-2.0578	8	0	0	200	0	2	3
A-F	0.0	0.0	-0.0235	-0.0235	4	0	0	15	0	8	7
A-E	-14.7222	9.9026	-79.1617	-83.9814	50	3	0	3619	0	11	8
B-C	0.0	0.0	-0.0115	-0.0115	2	0	0	10	0	6	4
B-D	-46.2082	0.0	-102.198	-148.4062	47	9	0	3718	0	7	5
B-F	-40.3076	15.6311	-85.7621	-110.4386	45	6	0	3344	0	11	5
B-E	0.0	5.4906	-27.1642	-21.6736	16	2	1	1004	0	2	4
C-D	-15.3986	0.0	-115.461	-130.8596	69	3	0	4777	0	13	6
C-F	0.0	3.9137	-28.7904	-24.8767	17	1	1	1006	0	2	4
C-E	-42.1998	18.2327	-90.6829	-114.65	48	5	0	3333	0	11	6
D-F	-26.3994	5.2844	-93.7225	-114.8375	47	4	0	3890	0	11	8
D-E	0.0	0.0	-5.9902	-5.9902	11	0	0	308	0	14	11
F-E	-33.3468	0.0	-115.238	-148.5848	70	2	0	4912	0	14	8

Interface residues

• A-B: ALA290A, ALA290B, ALA421A, ALA421B, ARG319A, ARG319B, ARG322A, ASN357A, ASN357B, ASP418A, ASP418B, GLN355A, GLN355B, GLN383A, GLN383B, GLN414A, GLN414B, GLN425A, GLN425B, GLU350B, GLU381A, GLU381B, GLU420A, GLU420B, GLY289A, GLY289B, GLY352A, GLY352B, GLY356A, GLY356B, ILE288A, ILE422A, ILE422B, LEU385A, LEU385B, LEU415A, LEU415B, LYS386A, LYS386B, LYS417A, LYS417B, MET358A, MET358B, PHE351A, PHE351B, PHE359B, PRO320A, PRO320B, PRO382A, PRO382B, SER291A, SER291B, SER353A, SER353B, SER419A, SER419B, SER424A, SER424B, THR318A, THR318B, THR336A, THR336B, THR384A, THR384B, TYR354A, TYR354B, TYR426A, TYR426B
• A-C: ALA301C, ALA401C, ALA411C, ARG295C, ASN436C, ASN437A, ASN437C, ASP404A, ASP404C, ASP440C, GLN405A, GLN405C, GLN408A, GLN413A, GLN416A, GLN416C, GLU441C, GLY292C, GLY294C, GLY406A, GLY406C, GLY438C, HIS297C, ILE298C, ILE400C, LEU412A, LEU412C, LEU415C, LEU443C, PRO402C, SER291C, SER296C, THR403A, THR403C, THR407A, THR409A, THR409C, THR442C, VAL293C, VAL435A, VAL435C, VAL439C
• A-D: ALA411A, ALA411D, GLN413A, GLN414A, GLN414D, GLU410A, GLU410D, THR409A
• A-F: ARG322F, GLU326F, LYS323A, SER324A
• A-E: ALA290A, ALA301A, ALA401A, ALA411A, ARG295A, ARG423E, ASN436A, ASN437A, ASN437E, ASP404A, ASP404E, ASP440A, GLN405A, GLN405E, GLN408E, GLN413A, GLN413E, GLN414A, GLN416A, GLN416E, GLU410A, GLU410E, GLU441A, GLY292A, GLY294A, GLY406E, GLY438A, GLY438E, HIS297A, ILE298A, LEU412A, LEU412E, LEU415A, LEU434E, PRO402A, SER291A, SER296A, SER304A, SER433E, THR403A, THR403E, THR407E, THR409A, THR409E, THR442A, TYR354A, VAL293A, VAL435A, VAL435E, VAL439A
• B-C: SER324B, SER324C
• B-D: ALA290B, ALA301B, ALA401B, ALA411B, ARG295B, ASN300B, ASN436B, ASN436D, ASN437B, ASN437D, ASP404B, ASP404D, ASP440B, GLN405B, GLN405D, GLN408D, GLN413D, GLN416B, GLN416D, GLU441B, GLU441D, GLY292B, GLY294B, GLY406B, GLY406D, GLY438B, HIS297B, ILE298B, ILE400B, LEU412B, LEU412D, LEU415B, LEU443B, PRO402B, SER291B, SER296B, THR403B, THR403D, THR407B, THR407D, THR409B, THR409D, THR442B, VAL293B, VAL435B, VAL435D, VAL439B
• B-F: ALA290F, ALA301F, ALA411F, ARG295F, ARG423B, ASN436F, ASN437B, ASN437F, ASP404B, ASP404F, ASP440F, GLN405B, GLN405F, GLN408B, GLN408F, GLN413B, GLN416B, GLN416F, GLU441F, GLY292F, GLY294F, GLY406B, GLY406F, GLY438B, GLY438F, HIS297F, ILE298F, LEU412B, LEU412F, LEU415F, LEU443F, LYS417B, PRO402F, SER291F, SER296F, SER304F, THR403B, THR403F, THR407B, THR409B, THR409F, THR442F, VAL293F, VAL435B, VAL439F
• B-E: ALA411B, ALA411E, ASP418B, ASP418E, GLN413B, GLN413E, GLN414B, GLN414E, GLU410B, GLU410E, LEU412B, LEU412E, LEU415B, LEU415E, THR409B, THR409E
• C-D: ALA290C, ALA290D, ALA421C, ALA421D, ARG319C, ARG319D, ARG322C, ARG322D, ARG423C, ASN357C, ASN357D, ASP418C, ASP418D, GLN355C, GLN355D, GLN383C, GLN383D, GLN414C, GLN414D, GLN425C, GLN425D, GLU350C, GLU350D, GLU381C, GLU381D, GLU420C, GLU420D, GLY289C, GLY289D, GLY352C, GLY352D, GLY356C, GLY356D, ILE288D, ILE422C, ILE422D, LEU385C, LEU385D, LEU415C, LEU415D, LYS386D, LYS417C, LYS417D, MET358C, MET358D, PHE351C, PHE351D, PRO320C, PRO320D, PRO382C, PRO382D, SER291C, SER291D, SER353C, SER353D, SER419C, SER419D, SER424C, SER424D, THR318C, THR318D, THR336C, THR336D, THR384C, THR384D, TYR354C, TYR354D, TYR426C, TYR426D
• C-F: ALA411C, ALA411F, ASP418C, ASP418F, GLN413C, GLN413F, GLN414C, GLN414F, GLU410C, GLU410F, LEU412C, LEU412F, LEU415C, LEU415F, LYS417C, THR409C, THR409F
• C-E: ALA290E, ALA301E, ALA411E, ARG295E, ARG322E, ASN436E, ASN437C, ASN437E, ASP404C, ASP404E, ASP440E, GLN405C, GLN405E, GLN408C, GLN408E, GLN413C, GLN416C, GLN416E, GLU410C, GLU441E, GLY292E, GLY294E, GLY406C, GLY406E, GLY438C, GLY438E, HIS297E, ILE298E, LEU412C, LEU412E, LEU415E, LEU443E, LYS417C, PRO402E, SER291E, SER296E, SER324E, THR403C, THR403E, THR407C, THR407E, THR409C, THR409E, THR442E, TYR354E, VAL293E, VAL435C, VAL439E
• D-F: ALA301D, ALA401D, ALA411D, ARG295D, ASN436D, ASN437D, ASN437F, ASP404D, ASP404F, ASP440D, GLN405D, GLN405F, GLN408F, GLN413D, GLN413F, GLN414D, GLN416D, GLN416F, GLU410D, GLU410F, GLU441D, GLY292D, GLY294D, GLY406F, GLY438D, HIS297D, ILE298D, LEU412D, LEU412F, LEU415D, LEU434F, LYS417F, PRO402D, PRO402F, SER291D, SER296D, SER433F, THR403D, THR403F, THR407F, THR409D, THR409F, THR442D, VAL293D, VAL435D, VAL435F, VAL439D
• D-E: ARG322D, ARG322E, GLU325D, GLU325E, GLU326D, GLU326E, GLU330D, LYS323D, LYS323E, SER324D, SER324E
• F-E: ALA290E, ALA290F, ALA421E, ALA421F, ARG319E, ARG319F, ARG322E, ARG322F, ASN357E, ASN357F, ASP418E, ASP418F, GLN355E, GLN355F, GLN383E, GLN383F, GLN414E, GLN414F, GLN425E, GLN425F, GLU350E, GLU350F, GLU381E, GLU381F, GLY289E, GLY289F, GLY352E, GLY352F, GLY356E, GLY356F, ILE288E, ILE288F, ILE422E, ILE422F, LEU385E, LEU385F, LEU415E, LEU415F, LYS386E, LYS386F, LYS417E, LYS417F, MET358E, MET358F, PHE351E, PHE351F, PRO320E, PRO320F, PRO382E, PRO382F, SER291E, SER291F, SER353E, SER353F, SER419E, SER419F, SER424E, SER424F, THR318E, THR318F, THR336E, THR336F, THR384E, THR384F, TYR354E, TYR354F, TYR426E, TYR426F, VAL293E, VAL293F