3KH4

crystal structure of human cu/zn superoxide dismutase recombinantly produced in leishmania tarantolae; p6522 crystal form containing 6 chains in the asymmetric unit

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 76
  • Norm. En. per Res.: -3.0975
• 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-B	-43.8257	-1.8059	-189.782	-235.4137	76	6	6	7776	0	8	6
A-C	-12.8935	-4.1106	-65.278	-82.282	55	8	0	3145	1	25	35
A-E	-22.3917	-7.7466	-74.2135	-104.3517	57	9	0	3701	2	29	38
C-D	-41.6617	-0.8421	-179.907	-222.4108	77	9	6	7642	0	8	6
C-E	-10.6782	-12.1564	-67.7303	-90.5649	55	7	0	3156	1	25	37
E-F	-40.9628	-0.8624	-180.216	-222.0412	76	7	6	7633	0	8	6

Interface residues

• A-B: ALA152A, ALA152B, ALA1A, ALA1B, ALA4A, ALA4B, ALA55A, ALA55B, ALA60A, ALA60B, ARG115A, ARG115B, ASN19A, ASN19B, ASN53A, ASN53B, ASP52A, ASP52B, CYS111A, CYS111B, CYS6A, CYS6B, GLN153A, GLN153B, GLU49A, GLU49B, GLY114A, GLY114B, GLY147A, GLY147B, GLY150A, GLY150B, GLY16A, GLY16B, GLY51A, GLY51B, GLY56A, GLY56B, GLY61A, GLY61B, HIS48A, HIS48B, ILE112A, ILE112B, ILE113A, ILE113B, ILE149A, ILE149B, ILE151A, ILE151B, ILE17A, ILE17B, ILE18A, ILE18B, LYS3A, LYS3B, LYS9A, LYS9B, PHE50A, PHE50B, PHE64A, PHE64B, PRO62A, PRO62B, SER59A, SER59B, THR116A, THR116B, THR54A, THR54B, VAL148A, VAL148B, VAL5A, VAL5B, VAL7A, VAL7B
• A-C: ALA123C, ALA89A, ALA95A, ASN131C, ASN139C, ASN86A, ASP125C, ASP76A, ASP76C, ASP90A, ASP92A, ASP96A, GLU100A, GLU121C, GLU132C, GLU133C, GLU40A, GLU77C, GLU78C, GLY127C, GLY129C, GLY130C, GLY138C, GLY33A, GLY41A, GLY72C, GLY73A, GLY73C, GLY85A, HIS43A, HIS71C, ILE99A, LEU126A, LEU126C, LEU42A, LEU84A, LYS122C, LYS128A, LYS128C, LYS30A, LYS70C, LYS75A, LYS91A, PHE45A, PRO74A, SER134C, SER34A, SER98A, THR135C, THR88A, TRP32A, VAL31A, VAL87A, VAL94A, VAL97A
• A-E: ALA123A, ALA89E, ALA95E, ARG79A, ASN131A, ASN139A, ASN86E, ASP125A, ASP76A, ASP76E, ASP90E, ASP96E, GLU100E, GLU121A, GLU132A, GLU133A, GLU40E, GLU77A, GLU78A, GLY127A, GLY129A, GLY130A, GLY138A, GLY33E, GLY41E, GLY72A, GLY73A, GLY73E, GLY85E, HIS43E, HIS71A, ILE99E, LEU126A, LEU126E, LEU42E, LEU84E, LYS122A, LYS128A, LYS128E, LYS136A, LYS30E, LYS70A, LYS75A, LYS75E, LYS91E, PHE45E, PRO74E, SER134A, SER34E, SER98E, THR135A, THR88E, TRP32E, VAL31E, VAL87E, VAL94E, VAL97E
• C-D: ALA152C, ALA152D, ALA1C, ALA1D, ALA4C, ALA4D, ALA55C, ALA55D, ALA60C, ALA60D, ARG115C, ARG115D, ASN19C, ASN19D, ASN53C, ASN53D, ASP11D, ASP52C, ASP52D, CYS111C, CYS111D, CYS6C, CYS6D, GLN153C, GLN153D, GLU49C, GLU49D, GLY114C, GLY114D, GLY147C, GLY147D, GLY150C, GLY150D, GLY16C, GLY16D, GLY51C, GLY51D, GLY56C, GLY56D, GLY61C, GLY61D, HIS48D, ILE112C, ILE112D, ILE113C, ILE113D, ILE149C, ILE149D, ILE151C, ILE151D, ILE17C, ILE17D, ILE18C, ILE18D, LEU8C, LEU8D, LYS3C, LYS9C, LYS9D, PHE50C, PHE50D, PHE64C, PHE64D, PRO62C, PRO62D, SER59C, SER59D, THR116C, THR116D, THR54C, THR54D, VAL148C, VAL148D, VAL5C, VAL5D, VAL7C, VAL7D
• C-E: ALA123E, ALA89C, ALA95C, ARG79E, ASN131E, ASN139E, ASN86C, ASP125E, ASP76C, ASP76E, ASP90C, ASP96C, GLU100C, GLU121E, GLU132E, GLU133E, GLU40C, GLU77E, GLU78E, GLY127E, GLY129E, GLY130E, GLY138E, GLY33C, GLY72E, GLY73C, GLY73E, GLY85C, HIS43C, HIS71E, ILE99C, LEU126C, LEU126E, LEU42C, LEU84C, LYS122E, LYS128C, LYS128E, LYS136E, LYS30C, LYS70E, LYS75C, LYS91C, PHE45C, PRO28C, PRO74C, SER134E, SER98C, THR135E, THR88C, TRP32C, VAL31C, VAL87C, VAL94C, VAL97C
• E-F: ALA152E, ALA152F, ALA1E, ALA1F, 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, LEU8E, LYS3E, LYS3F, LYS9E, LYS9F, PHE50E, PHE50F, PHE64E, PHE64F, PRO62E, PRO62F, SER59E, SER59F, THR116E, THR116F, THR54E, THR54F, VAL148E, VAL148F, VAL5E, VAL5F, VAL7E, VAL7F