2B81

crystal structure of the luciferase-like monooxygenase from bacillus cereus

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 174
  • Norm. En. per Res.: -4.041
• 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	-106.3554	47.4434	-644.222	-703.134	174	28	24	25570	0	49	51
A-C	-2.5253	-11.64	-135.759	-149.9243	72	6	0	5264	0	33	33
A-D	0.0	0.0	-1.5535	-1.5535	7	0	0	104	0	1	0
B-C	0.0	0.0	-5.6096	-5.6096	10	0	0	247	0	2	0
B-D	-2.8013	1.6137	-43.3729	-44.5604	22	0	1	1474	0	3	5
C-D	-89.7696	36.4843	-622.425	-675.7102	173	28	26	25105	0	49	51

Interface residues

• A-B: ALA113A, ALA113B, ALA117A, ALA117B, ALA138A, ALA138B, ALA142A, ALA142B, ALA182A, ALA182B, ALA37A, ALA37B, ALA74A, ALA74B, ALA89A, ALA89B, ARG107A, ARG107B, ARG111A, ARG111B, ARG126A, ARG126B, ARG137A, ARG137B, ARG61A, ARG61B, ASN168A, ASN168B, ASN183A, ASN183B, ASP120A, ASP120B, ASP139A, ASP139B, ASP62A, ASP62B, ASP67A, ASP67B, ASP69A, ASP69B, ASP72A, ASP72B, ASP80A, ASP80B, GLN121A, GLN121B, GLN173A, GLN173B, GLN43A, GLN43B, GLN66A, GLN66B, GLN77A, GLN77B, GLU115A, GLU115B, GLU178A, GLU178B, GLU93A, GLU93B, GLY144A, GLY144B, GLY177A, GLY177B, GLY181A, GLY181B, GLY76A, GLY76B, HIS108A, HIS108B, HIS180A, HIS180B, ILE116A, ILE116B, ILE164A, ILE164B, ILE172A, ILE172B, ILE78A, ILE78B, ILE83A, ILE83B, LEU104A, LEU104B, LEU106A, LEU106B, LEU110A, LEU110B, LEU119A, LEU119B, LEU122A, LEU122B, LEU143A, LEU143B, LEU176A, LEU176B, LEU184A, LEU184B, LEU64A, LEU64B, LEU65A, LEU65B, LEU85A, LEU85B, LEU88A, LEU88B, LYS114A, LYS114B, LYS141A, LYS141B, LYS187A, LYS187B, LYS91A, LYS91B, PHE123A, PHE123B, PHE140A, PHE140B, PHE169A, PHE169B, PHE70B, PRO109A, PRO109B, PRO170A, PRO170B, PRO186A, PRO186B, PRO38A, PRO38B, PRO68A, PRO68B, PRO73A, PRO73B, SER105A, SER105B, SER171A, SER174A, SER174B, SER90A, SER90B, THR102A, THR102B, THR118A, THR118B, THR175A, THR175B, THR75A, THR75B, THR86A, THR86B, THR92A, THR92B, TYR160A, TYR160B, TYR79A, TYR79B, TYR84A, TYR84B, TYR87A, TYR87B, VAL103A, VAL103B, VAL112A, VAL112B, VAL145A, VAL145B, VAL179A, VAL179B, VAL185A, VAL185B, VAL44A, VAL44B, VAL63A, VAL63B
• A-C: ALA37A, ALA37C, ALA74A, ALA74C, ARG261A, ARG261C, ARG266A, ARG266C, ARG270A, ARG270C, ARG300A, ARG300C, ASN32A, ASP253A, ASP253C, ASP257A, ASP257C, ASP297A, ASP297C, ASP67A, ASP67C, ASP69A, ASP69C, ASP72A, ASP72C, GLN299A, GLN299C, GLN34A, GLN34C, GLN66A, GLN66C, GLU256A, GLU256C, GLU260A, GLU260C, GLY268A, GLY268C, GLY298A, GLY71A, GLY71C, HIS251A, HIS251C, HIS36A, HIS36C, ILE265A, ILE265C, LEU267A, LEU267C, PHE296A, PHE296C, PHE35A, PHE35C, PHE70A, PHE70C, PRO262A, PRO262C, PRO264A, PRO264C, PRO68A, PRO68C, PRO73A, PRO73C, SER255A, SER255C, THR263A, THR263C, THR271A, THR271C, TYR269A, TYR269C, TYR33A, TYR33C
• A-D: ASN168D, ASN183D, ASP69A, GLN66A, GLY181D, PHE169D, PRO68A
• B-C: ALA182B, ASN168B, ASN183B, ASP67C, ASP69C, GLN66C, GLY181B, PHE169B, PRO68C, VAL185B
• B-D: ALA182B, ALA182D, ASN168B, ASN168D, ASN183B, ASN183D, GLY181B, GLY181D, HIS180B, HIS180D, LYS167B, LYS167D, LYS187B, PHE169B, PHE169D, PRO170B, PRO170D, SER171B, SER171D, TYR166B, VAL179B, VAL179D
• C-D: ALA113C, ALA113D, ALA117C, ALA117D, ALA138C, ALA138D, ALA142C, ALA142D, ALA182C, ALA182D, ALA37C, ALA37D, ALA74C, ALA74D, ALA89C, ALA89D, ARG107C, ARG107D, ARG111C, ARG111D, ARG126C, ARG126D, ARG137C, ARG137D, ARG61C, ARG61D, ASN168C, ASN168D, ASN183C, ASN183D, ASP120C, ASP120D, ASP139C, ASP139D, ASP62C, ASP62D, ASP67C, ASP67D, ASP69C, ASP69D, ASP72C, ASP72D, ASP80C, ASP80D, GLN121C, GLN121D, GLN173C, GLN173D, GLN43C, GLN43D, GLN66C, GLN66D, GLN77C, GLN77D, GLU115C, GLU115D, GLU178C, GLU178D, GLU93C, GLU93D, GLY144C, GLY144D, GLY177C, GLY177D, GLY181C, GLY181D, GLY76C, GLY76D, HIS108C, HIS108D, HIS180C, HIS180D, ILE116C, ILE116D, ILE164C, ILE164D, ILE172C, ILE172D, ILE78C, ILE78D, ILE83C, ILE83D, LEU104C, LEU104D, LEU106C, LEU106D, LEU110C, LEU110D, LEU119C, LEU119D, LEU122C, LEU122D, LEU143C, LEU143D, LEU176C, LEU176D, LEU184C, LEU184D, LEU64C, LEU64D, LEU65C, LEU65D, LEU85C, LEU85D, LEU88C, LEU88D, LYS114C, LYS114D, LYS141C, LYS141D, LYS187C, LYS187D, LYS91C, LYS91D, PHE123C, PHE123D, PHE140C, PHE140D, PHE169C, PHE169D, PRO109C, PRO109D, PRO124D, PRO170C, PRO170D, PRO186C, PRO186D, PRO38C, PRO38D, PRO68C, PRO68D, PRO73C, PRO73D, SER105C, SER105D, SER174C, SER174D, SER90C, SER90D, THR102C, THR102D, THR118C, THR118D, THR175C, THR175D, THR75C, THR75D, THR86C, THR86D, THR92C, THR92D, TYR160C, TYR160D, TYR79C, TYR79D, TYR84C, TYR84D, TYR87C, TYR87D, VAL103C, VAL103D, VAL112C, VAL112D, VAL145C, VAL145D, VAL179C, VAL179D, VAL185C, VAL185D, VAL44C, VAL44D, VAL63C, VAL63D