1XEB

crystal structure of an acyl-coa n-acyltransferase from pseudomonas aeruginosa

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 83
  • Norm. En. per Res.: -3.7464
• 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	-2.6035	8.3957	-114.798	-109.0059	59	4	2	4925	0	24	24
A-D	-13.4769	0.0	-310.431	-323.9079	87	17	20	12044	0	21	22
A-G	0.0	2.8283	-32.9943	-30.166	27	3	2	1511	0	5	6
B-C	-10.3056	0.0	-300.644	-310.9496	83	16	20	11894	0	20	20
B-D	-10.6247	20.401	-89.5546	-79.7782	39	3	6	3371	0	10	7
D-H	-24.6938	32.5346	-158.691	-150.8502	63	13	3	6003	0	23	23
E-F	-15.9774	0.0	-304.712	-320.6894	87	17	20	12031	0	18	23
E-G	0.0	9.2228	-113.347	-104.1242	58	7	2	4808	0	24	24
F-H	0.0	-3.3144	-15.5883	-18.9027	20	0	2	832	0	3	7
G-H	-10.7271	0.0	-303.119	-313.8461	86	13	20	12144	0	20	23

Interface residues

• A-C: ALA132A, ALA132C, ALA150A, ALA150C, ARG148A, ARG148C, ARG71A, ARG71C, ASP110A, GLN75A, GLN75C, GLU135A, GLU135C, GLU139C, GLU73A, GLU73C, GLY146A, GLY146C, GLY74A, GLY74C, HIS144C, HIS72A, HIS72C, ILE145A, ILE145C, ILE78A, ILE78C, LEU115A, LEU115C, LEU138A, LEU138C, LEU43C, LEU67A, LEU67C, PRO112A, PRO112C, PRO69A, PRO69C, SER116A, SER116C, THR111A, THR111C, THR134A, THR134C, TRP108A, TYR114A, TYR114C, TYR137A, TYR137C, VAL133A, VAL133C, VAL136A, VAL136C, VAL70A, VAL70C, VAL76A, VAL76C, VAL77A, VAL77C
• A-D: ALA11A, ALA11D, ALA20A, ALA20D, ARG25A, ARG25D, ARG65A, ARG65D, ARG80A, ARG80D, ASP12A, ASP12D, ASP140D, ASP41A, ASP41D, ASP44A, ASP44D, CYS35A, CYS35D, GLN23A, GLN23D, GLN33A, GLN33D, GLN38A, GLN38D, GLU17A, GLU17D, GLU27A, GLU27D, GLU32A, GLU32D, GLU39A, GLU39D, GLY42A, GLY42D, HIS10A, HIS10D, HIS51A, HIS51D, HIS9A, HIS9D, LEU13A, LEU13D, LEU15A, LEU15D, LEU18A, LEU18D, LEU21A, LEU21D, LEU22A, LEU22D, LEU24A, LEU24D, LEU43A, LEU43D, LEU45A, LEU45D, LYS16A, LYS16D, LYS34A, LYS34D, LYS8A, LYS8D, PHE29A, PHE29D, PRO36A, PRO36D, THR14A, THR14D, THR26A, THR26D, TYR19A, TYR19D, TYR37A, TYR37D, TYR63A, TYR63D, VAL28A, VAL28D, VAL30A, VAL30D, VAL31A, VAL31D, VAL40A, VAL40D, VAL46A, VAL46D
• A-G: ALA86A, ALA86G, ALA87A, ALA87G, ARG56A, ARG56G, ARG88A, ARG88G, ASP57A, ASP57G, GLN59A, GLN59G, GLN90A, GLN90G, GLN95G, GLY89A, GLY89G, GLY91G, LEU3A, LEU61A, LEU61G, LEU92G, SER2A, SER84A, SER84G, SER85A, SER85G
• B-C: ALA11B, ALA11C, ALA20B, ALA20C, ARG25B, ARG25C, ARG65B, ARG65C, ARG80B, ARG80C, ASP12B, ASP12C, ASP41B, ASP41C, ASP44B, ASP44C, CYS35B, CYS35C, GLN23B, GLN23C, GLN33B, GLN33C, GLN38B, GLN38C, GLU17B, GLU17C, GLU27B, GLU27C, GLU32B, GLU32C, GLU39B, GLU39C, GLY42B, GLY42C, HIS10B, HIS10C, HIS51B, HIS51C, HIS9B, HIS9C, LEU13B, LEU13C, LEU15B, LEU15C, LEU18B, LEU18C, LEU21B, LEU21C, LEU22B, LEU22C, LEU24B, LEU24C, LEU43B, LEU43C, LEU45B, LEU45C, LYS16B, LYS16C, LYS34B, LYS34C, PHE29B, PHE29C, PRO36B, PRO36C, THR14B, THR14C, THR26B, THR26C, THR49C, TYR19B, TYR19C, TYR37B, TYR37C, VAL28B, VAL28C, VAL30B, VAL30C, VAL31B, VAL31C, VAL40B, VAL40C, VAL46B, VAL46C
• B-D: ALA86B, ALA86D, ALA87B, ALA87D, ARG56B, ARG56D, ARG88B, ARG88D, ASP57B, ASP57D, GLN59B, GLN59D, GLN90B, GLN90D, GLN95B, GLU27B, GLU27D, GLU32B, GLU32D, GLY58D, GLY89D, GLY91B, LEU3B, LEU3D, LEU60B, LEU60D, LEU61B, LEU61D, LEU92B, LEU92D, SER2B, SER83B, SER83D, SER84B, SER84D, SER85B, SER85D, VAL28B, VAL31B
• D-H: ALA117H, ALA132D, ALA132H, ALA150D, ALA150H, ARG148D, ARG148H, ARG149H, ARG71D, ARG71H, ASP110D, ASP110H, GLN75D, GLN75H, GLU135D, GLU135H, GLU139D, GLU139H, GLU73D, GLU73H, GLY146D, GLY146H, GLY74D, GLY74H, HIS144D, HIS144H, HIS72D, HIS72H, ILE145D, ILE145H, LEU109D, LEU109H, LEU115H, LEU138D, LEU138H, PRO112D, PRO112H, PRO69D, PRO69H, SER116D, SER116H, THR111D, THR111H, THR134D, THR134H, TRP108D, TRP108H, TYR114D, TYR114H, TYR137D, TYR137H, VAL113D, VAL113H, VAL131D, VAL131H, VAL133D, VAL133H, VAL136D, VAL136H, VAL70D, VAL70H, VAL76D, VAL76H
• E-F: ALA11E, ALA11F, ALA20E, ALA20F, ARG25E, ARG25F, ARG65E, ARG65F, ARG80E, ARG80F, ASP12E, ASP12F, ASP140F, ASP41E, ASP41F, ASP44E, ASP44F, CYS35E, CYS35F, GLN23E, GLN23F, GLN33E, GLN33F, GLN38E, GLN38F, GLU17E, GLU17F, GLU27E, GLU27F, GLU32E, GLU32F, GLU39E, GLU39F, GLY42E, GLY42F, HIS10E, HIS10F, HIS51E, HIS51F, HIS9E, HIS9F, LEU13E, LEU13F, LEU15E, LEU15F, LEU18E, LEU18F, LEU21E, LEU21F, LEU22E, LEU22F, LEU24E, LEU24F, LEU43E, LEU43F, LEU45E, LEU45F, LYS16E, LYS16F, LYS34E, LYS34F, LYS8E, LYS8F, PHE29E, PHE29F, PRO36E, PRO36F, THR14E, THR14F, THR26E, THR26F, TYR19E, TYR19F, TYR37E, TYR37F, TYR63E, TYR63F, VAL28E, VAL28F, VAL30E, VAL30F, VAL31E, VAL31F, VAL40E, VAL40F, VAL46E, VAL46F
• E-G: ALA132E, ALA132G, ALA150E, ARG148E, ARG148G, ARG71E, ARG71G, ASP110E, ASP110G, ASP68E, GLN75E, GLN75G, GLU135E, GLU135G, GLU73E, GLU73G, GLY146E, GLY146G, GLY74E, GLY74G, HIS144G, HIS72E, HIS72G, ILE145E, ILE145G, ILE78G, LEU115E, LEU115G, LEU138E, LEU138G, LEU67E, LEU67G, PRO112E, PRO112G, PRO69E, PRO69G, SER116E, SER116G, THR111E, THR111G, THR134E, THR134G, TRP108E, TRP108G, TYR114E, TYR114G, TYR137E, TYR137G, VAL133E, VAL133G, VAL136E, VAL136G, VAL70E, VAL70G, VAL76E, VAL76G, VAL77E, VAL77G
• F-H: ALA86F, ALA86H, ALA87F, ALA87H, ARG56F, ARG56H, ARG88F, ARG88H, ASP57F, ASP57H, GLN59F, GLU32F, GLU32H, LEU61F, LEU61H, SER83H, SER84F, SER84H, SER85F, SER85H
• G-H: ALA11G, ALA11H, ALA20G, ALA20H, ARG25G, ARG25H, ARG65G, ARG65H, ARG80G, ARG80H, ASP12G, ASP12H, ASP140G, ASP41G, ASP41H, ASP44G, ASP44H, CYS35G, CYS35H, GLN23G, GLN23H, GLN33G, GLN33H, GLN38G, GLN38H, GLU17G, GLU17H, GLU27G, GLU27H, GLU32G, GLU32H, GLU39G, GLU39H, GLY42G, GLY42H, GLY47H, HIS10G, HIS10H, HIS51G, HIS51H, HIS9G, HIS9H, LEU13G, LEU13H, LEU15G, LEU15H, LEU18G, LEU18H, LEU21G, LEU21H, LEU22G, LEU22H, LEU24G, LEU24H, LEU43G, LEU43H, LEU45G, LEU45H, LYS16G, LYS16H, LYS34G, LYS34H, LYS8H, PHE29G, PHE29H, PRO36G, PRO36H, THR14G, THR14H, THR26G, THR26H, THR49G, TYR19G, TYR19H, TYR37G, TYR37H, VAL28G, VAL28H, VAL30G, VAL30H, VAL31G, VAL31H, VAL40G, VAL40H, VAL46G, VAL46H