3D9R

crystal structure of ketosteroid isomerase-like protein (yp_049581.1) from erwinia carotovora atroseptica scri1043 at 2.40 a resolution

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 92
  • Norm. En. per Res.: -3.9849
• 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	-73.5106	-38.6209	-254.48	-366.6115	92	11	3	10293	4	18	19
A-C	0.0	0.0	-4.4217	-4.4217	9	0	0	247	0	2	2
B-C	-70.029	31.9657	-235.653	-273.7162	76	14	15	10121	0	24	26
B-D	0.0	0.0	-3.6963	-3.6963	9	0	0	237	0	2	2
C-D	-67.257	-38.8336	-250.049	-356.1396	94	13	3	10456	4	18	19

Interface residues

• A-B: ALA107A, ALA107B, ALA125A, ALA125B, ALA48A, ALA48B, ALA49A, ALA49B, ALA82A, ALA82B, ALA85A, ALA85B, ALA90A, ALA90B, ARG115A, ARG115B, ARG126A, ARG126B, ARG46A, ARG46B, ARG88A, ARG88B, ASP38A, ASP38B, ASP83A, ASP83B, CYS128A, CYS128B, GLN109A, GLN109B, GLN79A, GLN79B, GLU110A, GLU110B, GLU76A, GLU76B, GLY39A, GLY43A, GLY43B, GLY45A, GLY45B, GLY51A, ILE132A, ILE132B, LEU111A, LEU111B, LEU113A, LEU113B, LEU114A, LEU114B, LEU41A, LEU41B, LYS131A, LYS131B, LYS75A, LYS75B, PHE112A, PHE112B, PHE86A, PHE86B, PRO134A, PRO134B, PRO44A, PRO44B, PRO47A, PRO47B, SER130A, SER130B, SER133A, SER133B, SER81A, SER81B, SER89A, SER89B, THR129A, THR129B, THR80A, THR80B, TRP84A, TRP84B, TYR108A, TYR108B, TYR127A, TYR127B, VAL40A, VAL40B, VAL50A, VAL50B, VAL78A, VAL78B, VAL87A, VAL87B
• A-C: ALA125A, ARG115A, ARG126A, ASP38A, ASP83A, ILE4C, LYS3C, SER2C, TRP84A
• B-C: ALA10B, ALA10C, ALA14B, ALA14C, ALA15B, ALA15C, ALA16C, ALA18B, ALA18C, ALA22B, ALA22C, ALA82B, ALA82C, ALA85B, ALA85C, ARG25B, ARG25C, ARG88B, ARG88C, ASN24B, ASN24C, ASN6B, ASN6C, GLN79B, GLN79C, GLU13B, GLU13C, GLU73B, GLU73C, GLU76B, GLU76C, GLU7B, GLU7C, GLU8B, GLU8C, ILE12B, ILE12C, ILE17B, ILE17C, ILE4B, ILE4C, ILE74B, ILE74C, LEU20B, LEU20C, LEU9B, LEU9C, LYS3B, LYS3C, LYS75B, LYS75C, PHE5B, PHE5C, PHE86B, PHE86C, SER2B, SER2C, SER81B, SER81C, THR21B, THR21C, THR80B, THR80C, TRP84B, TRP84C, TYR19B, TYR72B, TYR72C, VAL11B, VAL11C, VAL77B, VAL77C, VAL78B, VAL78C, VAL87B, VAL87C
• B-D: ARG115D, ARG126D, ASP38D, ASP83D, ILE4B, LYS3B, SER2B, SER81D, TRP84D
• C-D: ALA107C, ALA107D, ALA125C, ALA125D, ALA48C, ALA48D, ALA49C, ALA49D, ALA82C, ALA82D, ALA85C, ALA85D, ALA90C, ALA90D, ARG115C, ARG115D, ARG126C, ARG126D, ARG46C, ARG46D, ARG88C, ARG88D, ASP38C, ASP38D, ASP83C, ASP83D, CYS128C, CYS128D, GLN109C, GLN109D, GLN79C, GLN79D, GLU110C, GLU110D, GLU76C, GLU76D, GLY39C, GLY39D, GLY43C, GLY43D, GLY45C, GLY45D, GLY51C, GLY51D, ILE132C, ILE132D, LEU111C, LEU111D, LEU113C, LEU113D, LEU114C, LEU114D, LEU41C, LEU41D, LYS131C, LYS131D, LYS75C, LYS75D, PHE112C, PHE112D, PHE86C, PHE86D, PRO134C, PRO134D, PRO44C, PRO44D, PRO47C, PRO47D, SER130C, SER130D, SER133C, SER133D, SER81C, SER81D, SER89C, SER89D, THR129C, THR129D, THR80C, THR80D, TRP84C, TRP84D, TYR108C, TYR108D, TYR127C, TYR127D, VAL40C, VAL40D, VAL50C, VAL50D, VAL78C, VAL78D, VAL87C, VAL87D