1SDY

structure solution and molecular dynamics refinement of the yeast cu,zn enzyme superoxide dismutase

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 81
  • Norm. En. per Res.: -2.8156
• 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	-47.1687	0.6414	-168.355	-214.8823	77	7	6	7383	0	6	4
A-D	0.0	-14.7166	-61.6163	-76.3329	41	10	0	2973	4	15	14
B-C	0.0	0.0	-0.1229	-0.1229	6	0	0	28	0	0	1
B-D	-7.6472	0.0	-39.7295	-47.3767	29	2	1	2283	0	10	3
C-D	-50.4302	0.6572	-178.293	-228.066	81	8	6	7482	0	6	4

Interface residues

• A-B: ALA4A, ALA4B, ALA51A, ALA51B, ALA58A, ALA58B, ALA6A, ALA6B, ARG113A, ARG113B, ASN151A, ASN151B, ASN53A, ASN53B, ASP11A, ASP11B, ASP50A, ASP50B, GLN3A, GLN3B, GLU47A, GLU47B, GLY10A, GLY112A, GLY112B, GLY145A, GLY145B, GLY148A, GLY148B, GLY16A, GLY16B, GLY49A, GLY49B, GLY54A, GLY54B, GLY59A, GLY59B, ILE147A, ILE147B, LEU149A, LEU149B, LEU8A, LEU8B, LYS19A, LYS19B, LYS9A, LYS9B, PHE48A, PHE48B, PHE62A, PHE62B, PRO60A, SER109A, SER109B, SER114A, SER114B, SER57A, SER57B, THR150A, THR150B, THR52A, THR52B, VAL110A, VAL110B, VAL111A, VAL111B, VAL146A, VAL146B, VAL17A, VAL17B, VAL18B, VAL2A, VAL2B, VAL5A, VAL5B, VAL7A, VAL7B
• A-D: ARG113A, ASN63A, ASN63D, ASP128D, ASP74D, GLN22A, GLU130D, GLU131D, GLU25A, GLU75A, GLY106A, GLY125D, GLY127D, HIS69D, HIS78D, ILE102A, ILE105A, LEU101A, LEU133D, LYS103A, LYS126D, LYS134D, LYS66A, LYS66D, LYS67A, LYS67D, PHE62A, PHE65A, PRO107A, PRO64A, SER100A, SER109A, SER132D, SER25A, THR108A, THR129D, THR135D, THR68D, VAL76A, VAL76D, VAL79A
• B-C: ASN151C, GLU25B, GLU25C, GLU75B, PRO107B, SER24C
• B-D: ALA23B, ARG113D, ASN63D, GLN22B, GLU25B, GLU47D, GLY106B, GLY106D, ILE105B, LEU104B, LEU149B, LYS66D, LYS67D, PHE48D, PHE62D, PHE65D, PRO107B, PRO107D, PRO26B, PRO60D, PRO64D, SER109B, SER109D, SER24B, SER25B, THR108D, VAL111B, VAL2B, VAL79D
• C-D: ALA4C, ALA4D, ALA51C, ALA51D, ALA58C, ALA58D, ALA6C, ALA6D, ARG113C, ARG113D, ASN151C, ASN151D, ASN53C, ASN53D, ASP11D, ASP50C, ASP50D, CYS55D, GLN3C, GLN3D, GLU47C, GLU47D, GLY10D, GLY112C, GLY112D, GLY145C, GLY145D, GLY148C, GLY148D, GLY16C, GLY16D, GLY49C, GLY49D, GLY54C, GLY54D, GLY59C, GLY59D, HIS46C, HIS46D, ILE147C, ILE147D, LEU149C, LEU149D, LEU8C, LEU8D, LYS19C, LYS19D, LYS9C, LYS9D, PHE48C, PHE48D, PHE62C, PHE62D, PRO107C, PRO107D, PRO60D, SER109C, SER109D, SER114C, SER114D, SER57C, SER57D, THR150C, THR150D, THR52C, THR52D, VAL110C, VAL110D, VAL111C, VAL111D, VAL146C, VAL146D, VAL17C, VAL17D, VAL18C, VAL2C, VAL2D, VAL5C, VAL5D, VAL7C, VAL7D