3Q05

an induced fit mechanism regulates p53 dna binding kinetics to confer sequence specificity

• Total interactions analyzed: 15
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 139
  • Norm. En. per Res.: -6.2705
• Hub Node: A(2)

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	0.0	-65.6696	-65.6696	34	5	0	2691	1	6	19
A-C	-132.4593	-228.83	-510.309	-871.5983	139	21	17	19131	16	50	44
B-D	-97.9805	-218.9618	-477.714	-794.6563	135	19	15	18223	12	51	45
C-D	-4.4664	-30.9644	-77.0489	-112.4796	36	1	0	2801	4	6	21

Interface residues

• A-B: ARG174B, ARG175B, ARG181A, ARG181B, ARG248A, ASN239A, ASN239B, ASN247A, ASN247B, CYS176A, CYS176B, CYS238A, CYS238B, CYS242A, CYS242B, GLU180A, GLU180B, GLY244A, GLY244B, GLY245A, GLY245B, HIS178A, HIS178B, HIS179A, HIS179B, LEU137A, LEU137B, MET243A, MET243B, PRO177A, PRO177B, SER182B, SER241A, SER241B
• A-C: ALA119C, ALA138C, ALA347A, ALA347C, ALA353A, ALA353C, ARG202C, ARG213A, ARG267A, ARG290C, ARG333A, ARG333C, ARG335A, ARG335C, ARG337A, ARG337C, ARG342A, ARG342C, ARG344A, ARG344C, ASN200C, ASN210A, ASN263A, ASN345A, ASN345C, ASP186C, ASP228C, ASP324A, ASP324C, ASP352A, ASP352C, CYS124C, GLN100A, GLN104A, GLN136C, GLN165A, GLN167A, GLN331A, GLN331C, GLN340A, GLN340C, GLN354A, GLU171A, GLU198C, GLU221C, GLU224C, GLU326A, GLU326C, GLU336A, GLU336C, GLU339A, GLU339C, GLU343A, GLU343C, GLU346A, GLU346C, GLU349A, GLU349C, GLY105A, GLY117C, GLY199C, GLY226C, GLY262A, GLY266A, GLY325A, GLY325C, GLY334A, GLY334C, HIS168A, ILE162A, ILE232C, ILE332A, ILE332C, LEU114C, LEU201C, LEU264A, LEU265A, LEU289A, LEU330A, LEU330C, LEU348A, LEU348C, LEU350A, LEU350C, LYS101A, LYS139C, LYS164A, LYS235C, LYS321A, LYS351A, LYS351C, MET169A, MET323A, MET323C, PHE212A, PHE234C, PHE328A, PHE328C, PHE338A, PHE338C, PHE341A, PHE341C, PRO142C, PRO209A, PRO223C, PRO98A, SER106A, SER116C, SER121C, SER166A, SER185C, SER227C, SER94A, SER95A, SER96A, SER99A, THR102A, THR123C, THR140C, THR170A, THR211A, THR230C, THR231C, THR256A, THR322A, THR322C, THR329A, THR329C, TYR103A, TYR229C, TYR233C, TYR327A, TYR327C, VAL122C, VAL135C, VAL141C, VAL197C, VAL225C, VAL97A
• B-D: ALA138B, ALA347B, ALA347D, ALA353B, ALA353D, ARG202B, ARG213D, ARG267D, ARG290B, ARG333B, ARG333D, ARG335B, ARG335D, ARG337B, ARG337D, ARG342B, ARG342D, ARG344B, ARG344D, ASN200B, ASN210D, ASN263D, ASN345B, ASN345D, ASP186B, ASP228B, ASP324B, ASP324D, ASP352B, ASP352D, CYS124B, GLN100D, GLN104D, GLN136B, GLN165D, GLN167D, GLN331B, GLN331D, GLN340B, GLN340D, GLU171D, GLU198B, GLU221B, GLU224B, GLU326B, GLU326D, GLU336B, GLU336D, GLU339B, GLU339D, GLU343B, GLU343D, GLU346B, GLU346D, GLU349B, GLU349D, GLY105D, GLY117B, GLY199B, GLY226B, GLY266D, GLY325B, GLY325D, GLY334B, GLY334D, HIS168D, ILE162D, ILE332B, ILE332D, LEU114B, LEU201B, LEU264D, LEU265D, LEU289B, LEU289D, LEU330B, LEU330D, LEU348B, LEU348D, LEU350B, LEU350D, LYS101D, LYS139B, LYS235B, LYS291D, LYS321B, LYS321D, LYS351B, LYS351D, MET169D, MET323B, MET323D, PHE212D, PHE234B, PHE328B, PHE328D, PHE338B, PHE338D, PHE341B, PHE341D, PRO142B, PRO223B, PRO98D, SER116B, SER121B, SER166D, SER185B, SER227B, SER94D, SER95D, SER96D, SER99D, THR102D, THR123B, THR140B, THR170D, THR211D, THR231B, THR256D, THR322B, THR322D, THR329B, THR329D, THR356D, TYR103D, TYR229B, TYR233B, TYR327B, TYR327D, VAL122B, VAL135B, VAL141B, VAL197B, VAL225B, VAL97D
• C-D: ARG174C, ARG174D, ARG175C, ARG175D, ARG181C, ARG181D, ASN239C, ASN239D, ASN247C, ASN247D, CYS176C, CYS176D, CYS238C, CYS238D, CYS242C, CYS242D, GLN192D, GLU180C, GLU180D, GLY244C, GLY244D, GLY245C, GLY245D, HIS178C, HIS178D, HIS179C, HIS179D, LEU137C, LEU137D, MET243C, MET243D, PRO177C, PRO177D, SER182C, SER241C, SER241D