3NFW

crystal structure of nitrilotriacetate monooxygenase component b (a0r521 homolog) from mycobacterium thermoresistibile

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 271
  • Norm. En. per Res.: -5.4323
• 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	-218.5474	-119.6673	-1133.94	-1472.1547	271	41	28	45425	8	101	87
A-C	-5.9355	3.7926	-59.5477	-61.6906	30	3	0	2222	0	13	11
A-D	0.0	-12.2012	-13.7847	-25.9859	32	0	0	1185	1	24	22
B-C	0.0	0.0	-0.0067	-0.0067	3	0	0	8	0	4	2
B-D	0.0	0.0	-0.1384	-0.1384	8	0	0	59	0	8	5
C-D	-219.7613	-122.5835	-1090.94	-1433.2848	268	38	29	44725	8	100	86

Interface residues

• A-B: ALA115A, ALA115B, ALA169A, ALA169B, ALA177A, ALA177B, ALA181A, ALA181B, ALA37A, ALA37B, ALA3B, ALA42A, ALA42B, ALA43A, ALA43B, ALA5A, ALA5B, ALA85A, ALA85B, ARG12A, ARG12B, ARG13A, ARG13B, ARG146A, ARG146B, ARG149A, ARG149B, ARG155A, ARG155B, ARG172A, ARG172B, ARG60A, ARG60B, ARG86A, ARG86B, ARG90A, ARG90B, ARG9A, ARG9B, ASN166A, ASN166B, ASN74A, ASN74B, ASP118A, ASP118B, ASP123A, ASP123B, ASP126A, ASP126B, ASP129A, ASP129B, ASP173A, ASP173B, ASP174A, ASP174B, ASP47A, ASP47B, ASP7A, ASP7B, CYS119B, CYS19A, CYS19B, CYS38A, CYS38B, CYS54A, CYS54B, GLN170A, GLN170B, GLN17A, GLN17B, GLN39A, GLN39B, GLN81A, GLN81B, GLN8A, GLN8B, GLU142A, GLU142B, GLU145A, GLU145B, GLU157A, GLU157B, GLU162A, GLU162B, GLU164A, GLU164B, GLU176A, GLU176B, GLU4A, GLU4B, GLU78A, GLU78B, GLU91A, GLU91B, GLY127A, GLY127B, GLY128A, GLY128B, GLY135A, GLY135B, GLY139A, GLY139B, GLY156A, GLY156B, GLY160A, GLY160B, GLY16A, GLY16B, GLY21A, GLY21B, GLY35A, GLY35B, GLY88A, GLY88B, HIS116A, HIS116B, HIS122A, HIS122B, HIS125A, HIS125B, HIS130A, HIS130B, HIS138A, HIS77A, HIS77B, ILE117A, ILE117B, ILE161A, ILE161B, ILE24A, ILE24B, ILE25B, ILE6B, ILE75A, ILE75B, LEU114A, LEU114B, LEU140A, LEU140B, LEU151A, LEU151B, LEU152A, LEU152B, LEU15A, LEU15B, LEU175A, LEU175B, LEU179A, LEU179B, LEU44A, LEU44B, LEU46A, LEU46B, LEU50A, LEU50B, LEU52A, LEU52B, LEU76A, LEU76B, LYS136A, LYS136B, LYS147A, LYS147B, LYS165A, LYS165B, LYS57A, LYS57B, LYS63A, LYS63B, LYS94A, LYS94B, PHE11A, PHE11B, PHE131A, PHE131B, PHE134A, PHE134B, PHE153A, PHE153B, PHE178A, PHE178B, PHE18A, PHE18B, PHE36A, PHE36B, PHE41A, PHE41B, PHE53A, PHE53B, PHE87A, PHE87B, PRO144A, PRO144B, PRO148A, PRO148B, PRO150A, PRO150B, PRO163A, PRO163B, PRO168A, PRO168B, PRO48A, PRO48B, PRO49A, PRO49B, PRO55A, PRO55B, SER113A, SER113B, SER141A, SER141B, SER40A, SER40B, SER45A, SER45B, SER59A, SER59B, SER61A, SER61B, SER84A, SER84B, SER89A, SER89B, THR10A, THR10B, THR159A, THR159B, THR167A, THR167B, THR180A, THR180B, THR182B, THR20A, THR20B, THR23A, THR23B, THR2B, THR56A, THR56B, TRP171A, TRP171B, TRP62A, TRP62B, TYR154A, TYR154B, TYR158A, TYR158B, VAL124A, VAL132A, VAL132B, VAL133A, VAL133B, VAL137A, VAL137B, VAL143A, VAL143B, VAL14A, VAL14B, VAL1B, VAL22A, VAL22B, VAL34A, VAL34B, VAL51A, VAL51B, VAL58A, VAL58B, VAL73A, VAL73B, VAL83A, VAL83B
• A-C: ALA169C, ALA64A, ALA67A, ARG60A, ARG90A, ASN166C, ASP93A, GLN170C, GLU162C, GLU164C, GLU30A, GLU66A, GLY69A, HIS29A, ILE65A, LYS165C, LYS63A, PRO163C, PRO168C, PRO92A, SER59A, SER61A, SER68A, THR167C, THR182C, THR27A, TRP171C, TRP62A, VAL34A, VAL58A
• A-D: ALA64A, ALA67A, ALA85D, ALA96D, ARG60A, ARG86D, ASP126A, GLN80D, GLN81D, GLU157D, GLU30A, GLU66A, GLU78D, GLU91D, GLY127A, GLY128A, GLY160D, GLY97D, HIS29A, HIS82D, ILE98D, LYS57A, LYS63A, LYS79D, PHE131A, SER59A, SER89D, THR159D, THR56A, TYR158D, VAL58A, VAL83D
• B-C: LEU175B, LYS165C, THR167C
• B-D: ASP174B, GLN81D, GLU78D, GLY97D, HIS82D, LEU175B, LYS79D, PRO48B
• C-D: ALA115C, ALA115D, ALA169C, ALA169D, ALA177C, ALA177D, ALA181C, ALA181D, ALA37C, ALA37D, ALA3D, ALA42C, ALA42D, ALA43C, ALA43D, ALA5C, ALA5D, ALA85C, ALA85D, ARG12C, ARG12D, ARG13C, ARG13D, ARG146C, ARG146D, ARG149C, ARG149D, ARG155C, ARG155D, ARG172C, ARG172D, ARG60C, ARG60D, ARG86C, ARG86D, ARG90C, ARG90D, ARG9C, ARG9D, ASN166C, ASN166D, ASN74C, ASN74D, ASP118C, ASP118D, ASP123C, ASP123D, ASP126C, ASP126D, ASP129C, ASP129D, ASP173C, ASP173D, ASP174C, ASP174D, ASP47C, ASP47D, ASP7C, ASP7D, CYS19C, CYS19D, CYS38C, CYS38D, CYS54C, CYS54D, GLN170C, GLN170D, GLN17C, GLN17D, GLN39C, GLN39D, GLN81C, GLN81D, GLN8C, GLN8D, GLU142C, GLU142D, GLU145C, GLU145D, GLU157C, GLU157D, GLU162C, GLU162D, GLU164C, GLU164D, GLU176C, GLU176D, GLU4C, GLU4D, GLU78C, GLU78D, GLU91C, GLU91D, GLY127C, GLY127D, GLY128C, GLY128D, GLY135C, GLY135D, GLY139C, GLY139D, GLY156C, GLY156D, GLY160C, GLY160D, GLY16C, GLY16D, GLY21C, GLY21D, GLY35C, GLY35D, GLY88C, GLY88D, HIS116C, HIS116D, HIS122C, HIS122D, HIS125C, HIS125D, HIS130C, HIS130D, HIS138C, HIS77C, HIS77D, ILE117C, ILE117D, ILE161C, ILE161D, ILE24C, ILE24D, ILE6D, ILE75C, ILE75D, LEU114C, LEU114D, LEU140C, LEU140D, LEU151C, LEU151D, LEU152C, LEU152D, LEU15C, LEU15D, LEU175C, LEU175D, LEU179C, LEU179D, LEU44C, LEU44D, LEU46C, LEU46D, LEU50C, LEU50D, LEU52C, LEU52D, LEU76C, LEU76D, LYS136C, LYS136D, LYS147C, LYS147D, LYS165C, LYS165D, LYS57C, LYS57D, LYS63C, LYS63D, LYS94C, LYS94D, PHE11C, PHE11D, PHE131C, PHE131D, PHE134C, PHE134D, PHE153C, PHE153D, PHE178C, PHE178D, PHE18C, PHE18D, PHE36C, PHE36D, PHE41C, PHE41D, PHE53C, PHE53D, PHE87C, PHE87D, PRO144C, PRO144D, PRO148C, PRO148D, PRO150C, PRO150D, PRO163C, PRO163D, PRO168C, PRO168D, PRO48C, PRO48D, PRO49C, PRO49D, PRO55C, PRO55D, SER113C, SER141C, SER141D, SER40C, SER40D, SER45C, SER45D, SER59C, SER59D, SER61C, SER61D, SER84C, SER84D, SER89C, SER89D, THR10C, THR10D, THR159C, THR159D, THR167C, THR167D, THR180C, THR180D, THR182C, THR182D, THR20C, THR20D, THR23C, THR23D, THR2D, THR56C, THR56D, TRP171C, TRP171D, TRP62C, TRP62D, TYR154C, TYR154D, TYR158C, TYR158D, VAL124D, VAL132C, VAL132D, VAL133C, VAL133D, VAL137C, VAL137D, VAL143C, VAL143D, VAL14C, VAL14D, VAL1D, VAL22C, VAL22D, VAL34C, VAL34D, VAL51C, VAL51D, VAL58C, VAL58D, VAL73C, VAL73D, VAL83C