1PU0

structure of human cu,zn superoxide dismutase

• Total interactions analyzed: 45
• Total true interactions: 14
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 78
  • Norm. En. per Res.: -3.1828
• Hub Node: C(4)

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	-38.9671	-1.4387	-211.78	-252.1858	80	6	6	8145	0	8	7
A-I	-8.5543	1.9378	-72.9093	-79.5258	55	2	1	3236	0	21	26
B-D	-33.0447	-6.9846	-98.1398	-138.1691	55	3	0	3981	3	29	32
B-F	-17.7375	-16.8577	-73.804	-108.3992	56	3	0	3336	2	26	36
B-I	-9.1468	-0.094	-38.7665	-48.0073	55	2	0	2302	0	18	15
C-D	-34.2232	-0.6363	-205.086	-239.9455	80	9	6	8151	0	8	6
C-G	0.0	5.451	-25.0344	-19.5834	38	0	1	1574	0	15	26
C-H	-5.0606	2.3638	-19.0245	-21.7213	36	1	0	1017	0	15	11
C-J	0.0	0.0	-0.0216	-0.0216	2	0	0	5	0	2	4
D-F	-23.5086	10.0444	-86.9715	-100.4357	54	7	0	3805	0	28	36
E-F	-35.2298	-0.9206	-212.11	-248.2604	78	6	6	8081	0	8	6
G-H	-39.7141	-0.9683	-204.306	-244.9883	78	7	6	7974	0	8	6
H-J	-27.1767	1.4335	-91.6602	-117.4035	57	2	0	3833	3	29	30
I-J	-29.0858	-2.4529	-207.0	-238.5388	76	5	6	8008	0	8	6

Interface residues

• A-B: ALA152A, ALA152B, ALA4A, ALA4B, ALA55A, ALA55B, ALA60A, ALA60B, ARG115A, ARG115B, ASN19A, ASN19B, ASN53A, ASN53B, ASP109A, ASP52A, ASP52B, CYS111A, CYS111B, CYS6A, CYS6B, GLN153A, GLN153B, GLU49A, GLU49B, GLY114A, GLY114B, GLY147A, GLY147B, GLY150A, GLY150B, GLY16A, GLY16B, GLY51A, GLY51B, GLY56A, GLY56B, GLY61A, GLY61B, HIS110A, HIS48A, HIS48B, ILE112A, ILE112B, ILE113A, ILE113B, ILE149A, ILE149B, ILE151A, ILE151B, ILE17A, ILE17B, ILE18A, ILE18B, LEU8A, LEU8B, LYS3A, LYS3B, LYS9A, LYS9B, PHE50A, PHE50B, PHE64A, PHE64B, PRO62A, PRO62B, SER59A, SER59B, THR116A, THR116B, THR2A, THR2B, THR54A, THR54B, VAL148A, VAL148B, VAL5A, VAL5B, VAL7A, VAL7B
• A-I: ALA123I, ALA55A, ALA60A, ALA89I, ALA95I, ARG143A, ARG69A, ASN131I, ASN139I, ASN53A, ASN65A, ASN86I, ASP11A, ASP124I, ASP125I, ASP52A, ASP76I, ASP90I, ASP92I, ASP96I, CYS57A, GLU132A, GLU132I, GLU133I, GLU40I, GLU49A, GLY129I, GLY130I, GLY41I, GLY56A, GLY61A, GLY93I, HIS43I, HIS80A, LEU126I, LEU42I, LEU67A, LYS122I, LYS128I, LYS136A, LYS70A, LYS75I, LYS91I, PHE50A, PRO62A, PRO66A, SER134I, SER59A, SER68A, THR135A, THR39I, THR54A, THR58A, THR88I, VAL94I
• B-D: ALA89B, ALA95B, ASN131D, ASN139D, ASN86B, ASP124B, ASP125B, ASP125D, ASP76B, ASP76D, ASP90B, ASP96B, GLU100B, GLU132D, GLU133D, GLU40B, GLU77D, GLU78D, GLY127D, GLY129D, GLY130D, GLY138D, GLY33B, GLY41B, GLY72D, GLY73B, GLY73D, GLY85B, HIS43B, HIS71D, ILE99B, LEU126B, LEU126D, LEU42B, LEU84B, LYS122D, LYS128B, LYS128D, LYS136D, LYS30B, LYS70D, LYS75B, LYS75D, LYS91B, PHE45B, PRO74B, SER134D, SER98B, THR135D, THR88B, TRP32B, VAL31B, VAL87B, VAL94B, VAL97B
• B-F: ALA89F, ALA95F, ARG79B, ASN131B, ASN139B, ASN86F, ASP124F, ASP125B, ASP125F, ASP76B, ASP76F, ASP90F, ASP96F, GLU100F, GLU132B, GLU133B, GLU40F, GLU77B, GLU78B, GLY127B, GLY129B, GLY130B, GLY138B, GLY33F, GLY41F, GLY72B, GLY73B, GLY73F, GLY85F, HIS43F, HIS71B, ILE99F, LEU126B, LEU126F, LEU42F, LEU84F, LYS122B, LYS128B, LYS128F, LYS30F, LYS70B, LYS75B, LYS75F, LYS91F, PHE45F, PRO28F, PRO74F, SER134B, SER98F, THR135B, THR88F, TRP32F, VAL31F, VAL87F, VAL94F, VAL97F
• B-I: ALA123I, ALA152B, ALA1B, ALA89I, ALA95I, ASN19B, ASN86I, ASP101I, ASP124I, ASP90I, ASP92I, ASP96I, GLN153B, GLN15B, GLN22B, GLU100I, GLU21B, GLU24B, GLY16B, GLY33B, GLY33I, GLY41I, GLY85I, HIS43I, ILE151B, ILE17B, ILE99I, LEU126I, LEU42I, LEU84I, LEU8B, LYS23B, LYS30B, LYS30I, LYS36B, LYS3B, LYS75I, LYS91I, LYS9B, PHE20B, PRO28I, PRO74I, SER34B, SER34I, SER98I, THR2B, THR88I, TRP32B, TRP32I, VAL31I, VAL5B, VAL7B, VAL87I, VAL94I, VAL97I
• C-D: ALA152C, ALA152D, ALA1D, ALA4C, ALA4D, ALA55C, ALA55D, ALA60C, ALA60D, ARG115C, ARG115D, ASN19C, ASN19D, ASN53C, ASN53D, ASP109C, ASP52C, ASP52D, CYS111C, CYS111D, CYS6C, CYS6D, GLN153C, GLN153D, GLU49C, GLU49D, GLY10C, GLY114C, GLY114D, GLY147C, GLY147D, GLY150C, GLY150D, GLY16C, GLY16D, GLY51C, GLY51D, GLY56C, GLY56D, GLY61C, GLY61D, HIS48C, HIS48D, ILE112C, ILE112D, ILE113C, ILE113D, ILE149C, ILE149D, ILE151C, ILE151D, ILE17C, ILE17D, ILE18C, ILE18D, LEU8C, LEU8D, LYS3C, LYS3D, LYS9C, LYS9D, PHE50C, PHE50D, PHE64C, PHE64D, PRO62C, PRO62D, SER59C, SER59D, THR116C, THR116D, THR2C, THR54C, THR54D, VAL148C, VAL148D, VAL5C, VAL5D, VAL7C, VAL7D
• C-G: ALA123C, ALA55G, ALA60G, ARG143G, ASN131C, ASN53G, ASN86C, ASP11G, ASP124C, ASP125C, ASP52G, ASP76C, CYS57G, GLU132G, GLU133G, GLU40C, GLY129C, GLY130C, GLY41C, GLY56G, GLY61G, HIS43C, ILE99C, LEU126C, LEU42C, LYS128C, LYS136G, LYS75C, PHE50G, PRO62G, PRO74C, SER59G, SER98C, THR137G, THR54G, THR58G, THR88C, VAL87C
• C-H: ALA152H, ASN19H, ASP101C, ASP76C, ASP90C, ASP92C, ASP96C, GLN153H, GLN15H, GLU100C, GLU21H, GLU77C, GLU78C, GLY33H, GLY73C, ILE17H, ILE99C, LEU126C, LYS128C, LYS23C, LYS23H, LYS30C, LYS30H, LYS36H, LYS3H, LYS75C, LYS91C, LYS9H, PRO28C, PRO74C, SER102C, SER34H, SER98C, THR88C, TRP32H, VAL94C
• C-J: GLU132J, LYS30C
• D-F: ALA89D, ALA95D, ASN131F, ASN139F, ASN86D, ASP124D, ASP125D, ASP125F, ASP76D, ASP76F, ASP90D, ASP96D, GLU100D, GLU132F, GLU133F, GLU40D, GLU77F, GLU78F, GLY127F, GLY129F, GLY130F, GLY138F, GLY33D, GLY41D, GLY72F, GLY73D, GLY73F, GLY85D, HIS43D, ILE99D, LEU126D, LEU126F, LEU42D, LEU84D, LYS122F, LYS128D, LYS128F, LYS136F, LYS30D, LYS70F, LYS75D, LYS75F, LYS91D, PHE45D, PRO74D, SER134F, SER98D, THR135F, THR88D, TRP32D, VAL31D, VAL87D, VAL94D, VAL97D
• E-F: ALA152E, ALA152F, ALA4E, ALA4F, ALA55E, ALA55F, ALA60E, ALA60F, ARG115E, ARG115F, ASN19E, ASN19F, ASN53E, ASN53F, ASP52E, ASP52F, CYS111E, CYS111F, CYS6E, CYS6F, GLN153E, GLN153F, GLU49E, GLU49F, GLY114E, GLY114F, GLY147E, GLY147F, GLY150E, GLY150F, GLY16E, GLY16F, GLY51E, GLY51F, GLY56E, GLY56F, GLY61E, GLY61F, HIS48E, HIS48F, ILE112E, ILE112F, ILE113E, ILE113F, ILE149E, ILE149F, ILE151E, ILE151F, ILE17E, ILE17F, ILE18E, ILE18F, LEU8E, LEU8F, LYS3E, LYS3F, LYS9E, LYS9F, PHE50E, PHE50F, PHE64E, PHE64F, PRO62E, PRO62F, SER59E, SER59F, THR116E, THR116F, THR2E, THR2F, THR54E, THR54F, VAL148E, VAL148F, VAL5E, VAL5F, VAL7E, VAL7F
• G-H: ALA152G, ALA152H, ALA1H, ALA4G, ALA4H, ALA55G, ALA55H, ALA60G, ALA60H, ARG115G, ARG115H, ASN19G, ASN19H, ASN53G, ASN53H, ASP52G, ASP52H, CYS111G, CYS111H, CYS6G, CYS6H, GLN153G, GLN153H, GLU49G, GLU49H, GLY114G, GLY114H, GLY147G, GLY147H, GLY150G, GLY150H, GLY16G, GLY16H, GLY51G, GLY51H, GLY56G, GLY56H, GLY61G, GLY61H, HIS48G, HIS48H, ILE112G, ILE112H, ILE113G, ILE113H, ILE149G, ILE149H, ILE151G, ILE151H, ILE17G, ILE17H, ILE18G, ILE18H, LEU8G, LEU8H, LYS3G, LYS3H, LYS9G, LYS9H, PHE50G, PHE50H, PHE64G, PHE64H, PRO62G, PRO62H, SER59G, SER59H, THR116G, THR116H, THR2G, THR54G, THR54H, VAL148G, VAL148H, VAL5G, VAL5H, VAL7G, VAL7H
• H-J: ALA123J, ALA89H, ALA95H, ASN131J, ASN139J, ASN86H, ASP125H, ASP125J, ASP76H, ASP76J, ASP90H, ASP96H, GLU100H, GLU121J, GLU132J, GLU133J, GLU40H, GLU77J, GLU78J, GLY127J, GLY129J, GLY130J, GLY138J, GLY33H, GLY41H, GLY72J, GLY73H, GLY73J, GLY85H, HIS43H, HIS71J, ILE99H, LEU126H, LEU126J, LEU42H, LEU84H, LYS122J, LYS128H, LYS128J, LYS136J, LYS30H, LYS70J, LYS75H, LYS75J, LYS91H, PHE45H, PRO74H, SER134J, SER34H, SER98H, THR135J, THR88H, TRP32H, VAL31H, VAL87H, VAL94H, VAL97H
• I-J: ALA152I, ALA152J, ALA4I, ALA4J, ALA55I, ALA55J, ALA60I, ALA60J, ARG115I, ARG115J, ASN19I, ASN19J, ASN53I, ASN53J, ASP52I, ASP52J, CYS111I, CYS111J, CYS6I, CYS6J, GLN153I, GLN153J, GLU49I, GLU49J, GLY114I, GLY114J, GLY147I, GLY147J, GLY150I, GLY150J, GLY16I, GLY16J, GLY51I, GLY51J, GLY56I, GLY56J, GLY61I, GLY61J, HIS48I, HIS48J, ILE112I, ILE112J, ILE113I, ILE113J, ILE149I, ILE149J, ILE151I, ILE151J, ILE17I, ILE17J, ILE18I, ILE18J, LEU8I, LEU8J, LYS3I, LYS3J, LYS9I, LYS9J, PHE50I, PHE50J, PHE64I, PHE64J, PRO62I, PRO62J, SER59I, SER59J, THR116I, THR116J, THR54I, THR54J, VAL148I, VAL148J, VAL5I, VAL5J, VAL7I, VAL7J