3SZK

crystal structure of human methaemoglobin complexed with the first neat domain of isdh from staphylococcus aureus

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 66
  • Norm. En. per Res.: -3.1117
• Hub Node: B(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
D-E	-30.5936	15.1894	-232.856	-248.2602	90	13	9	9544	0	15	19
D-F	-45.165	6.6929	-166.133	-204.6051	67	14	4	6804	1	20	21
B-E	0.0	0.0	-0.1874	-0.1874	10	0	0	44	0	2	2
B-A	-26.9806	15.8719	-244.781	-255.8896	93	5	9	9583	0	17	19
E-F	0.0	0.0	-0.0021	-0.0021	3	0	0	2	0	0	3
A-C	-47.4426	8.7383	-166.671	-205.3753	66	12	4	6993	1	19	23

Interface residues

• D-E: ALA110D, ALA111D, ALA115D, ALA115E, ALA120D, ALA123D, ALA128E, ALA129E, ALA130D, ALA135E, ALA27E, ALA28D, ARG104E, ARG30E, ARG31D, ASN108E, ASN9D, ASP126D, ASP52E, CYS104D, CYS112E, GLN127E, GLN131E, GLU101E, GLU116D, GLU121E, GLU26E, GLU27D, GLU30D, GLY107E, GLY119E, GLY29E, HIS103D, HIS112D, HIS116E, HIS117E, HIS122D, HIS50D, LEU100D, LEU105D, LEU105E, LEU106D, LEU109D, LEU110E, LEU113D, LEU114E, LEU125D, LEU31E, LEU32E, LEU34D, LYS120E, LYS127D, LYS132E, LYS99D, MET32D, MET55E, PHE117D, PHE118E, PHE122E, PHE33D, PHE36D, PRO114D, PRO119D, PRO124E, PRO125E, PRO36E, PRO37D, PRO51E, SER102D, SER124D, SER35D, THR108D, THR118D, THR123E, THR50E, TRP37E, TYR130E, TYR24D, TYR35E, VAL107D, VAL109E, VAL111E, VAL113E, VAL121D, VAL126E, VAL134E, VAL33E, VAL34E, VAL54E, VAL96D
• D-F: ALA120D, ALA12D, ALA13D, ALA153F, ALA19D, ALA21D, ALA5D, ALA69D, ALA71D, ASN151F, ASN68D, ASN9D, ASP133F, ASP181F, ASP205F, ASP6D, ASP74D, ASP75D, GLN124F, GLN203F, GLU122F, GLU180F, GLY15D, GLY18D, HIS127F, HIS182F, HIS20D, HIS72D, ILE131F, ILE150F, ILE204F, LEU2D, LEU66D, LYS11D, LYS132F, LYS16D, LYS7D, PHE128F, PHE129F, PRO177F, PRO179F, PRO4D, SER124D, SER130F, SER154F, SER3D, THR118D, THR123F, THR152F, THR155F, THR202F, THR210F, THR67D, THR8D, TRP14D, TRP156F, TYR125F, TYR126F, TYR175F, TYR212F, VAL10D, VAL121D, VAL178F, VAL17D, VAL1D, VAL70D, VAL73D
• B-E: ALA13E, ASN80B, ASP73B, GLU121E, GLY83B, HIS77B, LYS17E, THR123E, THR12E, THR84B
• B-A: ALA110A, ALA111A, ALA115A, ALA115B, ALA120A, ALA123A, ALA128B, ALA129B, ALA130A, ALA135B, ALA27B, ALA28A, ARG104B, ARG30B, ARG31A, ASN108B, ASN9A, ASP126A, ASP52B, CYS104A, CYS112B, GLN127B, GLN131B, GLU101B, GLU116A, GLU121B, GLU26B, GLU27A, GLU30A, GLU7B, GLY107B, GLY119B, GLY29B, HIS103A, HIS112A, HIS116B, HIS117B, HIS122A, HIS50A, LEU100A, LEU105A, LEU105B, LEU106A, LEU106B, LEU109A, LEU110B, LEU113A, LEU114B, LEU125A, LEU29A, LEU31B, LEU32B, LEU34A, LYS120B, LYS127A, LYS132B, LYS99A, MET32A, MET55B, PHE117A, PHE118B, PHE122B, PHE33A, PHE36A, PRO114A, PRO119A, PRO124B, PRO125B, PRO36B, PRO37A, PRO51B, SER102A, SER124A, SER35A, THR108A, THR118A, THR123B, THR50B, TRP37B, TYR130B, TYR24A, TYR35B, VAL107A, VAL109B, VAL111B, VAL113B, VAL121A, VAL126B, VAL134B, VAL33B, VAL34B, VAL54B, VAL96A
• E-F: ASP52E, GLY207F, THR50E
• A-C: ALA120A, ALA12A, ALA13A, ALA153C, ALA19A, ALA21A, ALA5A, ALA69A, ALA71A, ASN151C, ASN68A, ASN9A, ASP133C, ASP181C, ASP205C, ASP6A, ASP74A, ASP75A, GLN124C, GLN203C, GLU122C, GLU180C, GLY15A, GLY18A, HIS127C, HIS182C, HIS20A, HIS72A, ILE131C, ILE150C, ILE204C, LEU2A, LEU66A, LYS11A, LYS132C, LYS16A, LYS7A, PHE128C, PHE129C, PRO177C, PRO179C, PRO4A, SER124A, SER130C, SER154C, SER3A, THR123C, THR152C, THR155C, THR202C, THR210C, THR67A, THR8A, TRP14A, TRP156C, TYR125C, TYR126C, TYR175C, TYR212C, VAL10A, VAL121A, VAL178C, VAL17A, VAL1A, VAL70A, VAL73A