3DGE

structure of a histidine kinase-response regulator complex reveals insights into two-component signaling and a novel cis- autophosphorylation mechanism

• Total interactions analyzed: 10
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 151
  • Norm. En. per Res.: -3.3568
• 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-C	-28.7811	-3.9617	-231.007	-263.7498	96	21	6	9876	2	33	25
A-B	-46.3709	-39.9354	-420.57	-506.8763	151	32	29	22450	4	51	52
A-D	-2.7296	-19.7655	-28.2444	-50.7394	32	1	0	1433	2	18	9
C-B	-9.502	-43.9059	-39.8106	-93.2185	36	5	0	1826	5	17	7
B-D	-7.9555	-1.2692	-228.774	-237.9987	94	11	6	9714	1	33	23

Interface residues

• A-C: ALA12C, ALA256A, ALA268A, ALA271A, ALA273A, ALA84C, ARG104C, ARG15C, ARG263A, ARG430A, ASN21C, ASN257A, ASN278A, ASN348A, ASN34C, ASP10C, ASP284A, ASP297A, ASP388A, ASP53C, ASP60C, ASP90C, GLN111C, GLN298A, GLN36C, GLU25C, GLU261A, GLU274A, GLU282A, GLU290A, GLU33C, GLU438A, GLY281A, GLY86C, GLY87C, HIS260A, HIS301A, HIS347A, ILE113C, ILE17C, ILE269A, ILE276A, ILE295A, ILE37C, ILE414A, ILE54C, LEU14C, LEU262A, LEU266A, LEU280A, LEU283A, LEU288A, LEU435A, LEU82C, LYS105C, LYS16C, LYS24C, LYS270A, LYS387A, LYS85C, MET55C, MET56C, MET59C, PHE107C, PHE112C, PHE20C, PHE291A, PHE62C, PRO106C, PRO109C, PRO265A, PRO440A, PRO57C, SER108C, SER110C, SER11C, SER19C, SER259A, SER279A, SER346A, SER385A, SER434A, THR264A, THR267A, THR275A, THR287A, THR436A, THR83C, TYR272A, TYR277A, TYR437A, VAL13C, VAL18C, VAL294A, VAL439A, VAL58C
• A-B: ALA256A, ALA256B, ALA268B, ALA271A, ALA271B, ALA273A, ALA273B, ARG246B, ARG249A, ARG249B, ARG263A, ARG263B, ARG314A, ARG314B, ARG317A, ARG317B, ASN257A, ASN257B, ASN278A, ASN278B, ASN300A, ASN300B, ASN304A, ASN304B, ASN307A, ASN307B, ASP248A, ASP248B, ASP297A, ASP297B, ASP311A, ASP311B, GLN298A, GLN298B, GLN427A, GLN427B, GLU253A, GLU253B, GLU261A, GLU261B, GLU274A, GLU274B, GLU290A, GLU290B, GLU293A, GLU293B, GLU303A, GLU303B, GLU308A, GLU308B, GLU316A, GLU316B, GLY281A, GLY281B, HIS260A, HIS260B, HIS301A, HIS301B, ILE247A, ILE247B, ILE255A, ILE255B, ILE258A, ILE258B, ILE269A, ILE269B, ILE276A, ILE276B, ILE295A, ILE295B, ILE296A, ILE296B, ILE448A, LEU262A, LEU262B, LEU266A, LEU266B, LEU280A, LEU280B, LEU283A, LEU283B, LEU285A, LEU285B, LEU288A, LEU288B, LEU292A, LEU292B, LEU302A, LEU302B, LEU305A, LEU305B, LEU306A, LEU306B, LEU309A, LEU309B, LEU310A, LEU310B, LEU315A, LEU315B, LEU444A, LEU444B, LYS245A, LYS245B, LYS251A, LYS251B, LYS270A, LYS270B, LYS289A, LYS289B, LYS318A, LYS318B, MET250A, MET250B, PHE254A, PHE254B, PHE291A, PHE291B, PHE312A, PHE312B, PHE428A, PHE428B, PRO265A, PRO265B, SER259A, SER259B, SER279A, SER279B, SER286A, SER286B, SER299A, SER299B, SER313A, SER313B, THR252A, THR252B, THR264A, THR264B, THR267A, THR267B, THR275A, THR275B, THR442A, THR442B, TYR272A, TYR272B, TYR277A, TYR277B, TYR437A, TYR437B, VAL294A, VAL294B
• A-D: ALA84D, ARG104D, ARG314A, ARG317A, ARG369A, ASN300A, ASN304A, ASN307A, ASN323A, ASP311A, ASP90D, GLN321A, GLU303A, GLU88D, GLU89D, GLY86D, GLY87D, ILE296A, LEU302A, LEU306A, LEU310A, LEU320A, LYS105D, LYS85D, PHE107D, PRO106D, PRO109D, SER108D, SER299A, SER319A, THR368A, THR83D
• C-B: ALA84C, ARG104C, ARG314B, ARG317B, ARG369B, ASN300B, ASN304B, ASN307B, ASN323B, ASP311B, ASP366B, ASP90C, GLN321B, GLU303B, GLU88C, GLU89C, GLU91C, GLY86C, GLY87C, ILE296B, ILE322B, LEU302B, LEU306B, LEU310B, LEU320B, LYS105C, LYS318B, LYS85C, PHE107C, PRO106C, PRO109C, SER108C, SER299B, SER319B, SER92C, THR368B
• B-D: ALA12D, ALA256B, ALA268B, ALA271B, ALA273B, ALA84D, ARG104D, ARG15D, ARG263B, ARG430B, ASN21D, ASN278B, ASN348B, ASN34D, ASP10D, ASP284B, ASP297B, ASP388B, ASP60D, ASP90D, ASP9D, GLN111D, GLN298B, GLN36D, GLU25D, GLU261B, GLU274B, GLU282B, GLU290B, GLU33D, GLU438B, GLY281B, GLY86D, GLY87D, HIS260B, HIS301B, HIS347B, ILE17D, ILE269B, ILE276B, ILE295B, ILE37D, ILE54D, LEU14D, LEU262B, LEU266B, LEU280B, LEU283B, LEU288B, LEU435B, LEU82D, LYS105D, LYS16D, LYS24D, LYS270B, LYS386B, LYS387B, LYS85D, MET55D, MET56D, MET59D, PHE107D, PHE112D, PHE20D, PHE291B, PHE62D, PRO106D, PRO109D, PRO265B, PRO440B, PRO57D, SER108D, SER110D, SER11D, SER19D, SER259B, SER279B, SER346B, SER385B, SER434B, THR264B, THR267B, THR275B, THR287B, THR436B, THR83D, TYR272B, TYR277B, TYR437B, VAL13D, VAL18D, VAL294B, VAL439B, VAL58D