3K9S

crystal structure of the peroxide-bound manganese superoxide dismutase.

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 95
  • Norm. En. per Res.: -3.5579
• 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	-32.7962	-37.0569	-268.149	-338.002	95	11	3	9120	4	25	26
A-C	0.0	0.0	-0.0096	-0.0096	2	0	0	10	0	2	3
A-D	-31.5832	-14.7638	-46.1241	-92.4711	33	3	0	2393	1	18	19
C-D	-33.0017	-18.4135	-257.765	-309.1802	94	8	3	8868	4	24	27

Interface residues

• A-B: ALA144A, ALA144B, ALA172A, ALA172B, ALA75A, ALA75B, ARG123A, ARG123B, ARG180A, ARG180B, ARG181A, ARG181B, ARG72A, ARG72B, ASN145A, ASN145B, ASN179A, ASN179B, ASN37A, ASN37B, ASN73A, ASN73B, ASN74A, ASN74B, ASN80A, ASN80B, ASP147A, ASP147B, ASP19A, ASP19B, GLN146A, GLN146B, GLN178A, GLN178B, GLN21A, GLN21B, GLN32B, GLU170A, GLU170B, GLY125A, GLY125B, GLY127A, GLY127B, GLY76A, GLY76B, GLY77A, GLY77B, HIS171A, HIS171B, HIS26A, HIS26B, HIS30A, HIS30B, HIS78A, HIS78B, HIS81A, HIS81B, ILE25A, ILE25B, LEU175A, LEU175B, LYS176A, LYS176B, LYS29A, LYS29B, MET151A, MET151B, PHE124A, PHE124B, PHE177A, PHE177B, SER122A, SER122B, SER126A, SER126B, THR22A, THR22B, THR28A, THR28B, THR33A, THR33B, THR69A, THR69B, TRP169A, TRP169B, TYR173A, TYR173B, TYR174A, TYR174B, TYR34A, TYR34B, VAL168A, VAL168B, VAL70A, VAL70B
• A-C: ALA154C, ARG104A
• A-D: ALA139A, ALA154D, ALA202A, ALA203A, ALA65D, ARG72D, ASP136A, ASP61D, GLN62D, GLU153D, GLY135A, GLY152D, GLY157D, GLY160A, ILE155D, LEU133A, LEU138A, LEU45D, LEU60D, LEU63D, LYS134A, LYS137A, LYS204A, LYS205A, LYS59D, LYS68D, MET151D, PHE161A, PHE48D, PRO64D, SER156D, THR58D, THR69D
• C-D: ALA144C, ALA144D, ALA172C, ALA172D, ARG123C, ARG123D, ARG180C, ARG180D, ARG181C, ARG181D, ARG72C, ARG72D, ASN145C, ASN145D, ASN179C, ASN179D, ASN37C, ASN37D, ASN73C, ASN73D, ASN74C, ASN74D, ASN80C, ASN80D, ASP147C, ASP147D, ASP19C, ASP19D, GLN146C, GLN146D, GLN178C, GLN178D, GLN21C, GLN21D, GLN32C, GLN32D, GLU170C, GLU170D, GLY125C, GLY125D, GLY127C, GLY127D, GLY76C, GLY76D, GLY77C, GLY77D, HIS171C, HIS171D, HIS26C, HIS26D, HIS30C, HIS30D, HIS78C, HIS78D, HIS81C, HIS81D, ILE25C, ILE25D, LEU175C, LEU175D, LYS176C, LYS176D, LYS29C, LYS29D, MET151C, MET151D, PHE124C, PHE124D, PHE177C, PHE177D, SER122C, SER122D, SER126C, SER126D, THR22C, THR22D, THR28C, THR28D, THR33C, THR33D, THR69C, THR69D, TRP169C, TRP169D, TYR173C, TYR173D, TYR174C, TYR174D, TYR34C, TYR34D, VAL168C, VAL168D, VAL70C, VAL70D