3U7I

the crystal structure of fmn-dependent nadh-azoreductase 1 (gbaa0966) from bacillus anthracis str. ames ancestor

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 142
  • Norm. En. per Res.: -2.6862
• 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	0.0	20.6462	-7.9901	12.6561	14	0	0	437	0	9	10
A-C	-39.0981	-26.4881	-315.861	-381.4472	142	9	5	13264	1	47	43
A-D	0.0	11.6566	-20.5937	-8.9371	22	0	0	1200	0	7	7
B-C	0.0	8.1923	-0.0545	8.1378	2	0	0	4	0	2	5
B-D	-27.124	-20.7074	-299.624	-347.4554	139	8	5	12949	0	47	45
C-D	0.0	9.6037	-2.6496	6.9541	9	0	0	235	0	7	6

Interface residues

• A-B: ARG73A, ASN153B, ASP154B, ASP155B, ASP159B, GLU74A, GLU75A, LYS56A, LYS77A, THR158B, THR57A, THR72A, TRP156B, TYR157B
• A-C: ALA120A, ALA169A, ALA169C, ALA188A, ALA188C, ASN103A, ASN103C, ASN105A, ASN105C, ASN116A, ASN116C, ASN172A, ASN172C, ASN45A, ASN45C, ASN8C, ASP112A, ASP112C, ASP115A, ASP115C, ASP14A, ASP14C, ASP159A, ASP159C, ASP15A, ASP15C, ASP48A, ASP48C, ASP55A, ASP55C, GLU128A, GLU128C, GLU161A, GLU161C, GLU63A, GLU63C, GLY130A, GLY130C, GLY148A, GLY148C, GLY149A, GLY149C, HIS102A, HIS102C, HIS10A, HIS10C, HIS164A, HIS164C, ILE106A, ILE106C, ILE117A, ILE117C, ILE119A, ILE119C, ILE21A, ILE21C, ILE54A, ILE54C, LEU101A, LEU101C, LEU110A, LEU110C, LEU167A, LEU167C, LEU174A, LEU174C, LEU59A, LEU59C, LEU99A, LEU99C, LYS109A, LYS109C, LYS111A, LYS111C, LYS125A, LYS12A, LYS12C, LYS165A, LYS165C, LYS168A, LYS168C, LYS56A, LYS56C, PHE104A, PHE104C, PHE124A, PHE124C, PHE171A, PHE173A, PHE173C, PRO100A, PRO100C, PRO107A, PRO107C, PRO11A, PRO11C, PRO52A, PRO52C, SER108A, SER108C, SER131A, SER131C, SER163A, SER163C, SER17A, SER17C, SER18A, SER18C, SER60A, SER60C, THR127A, THR127C, THR129A, THR129C, THR57A, THR57C, TRP156A, TRP156C, TRP62A, TRP62C, TYR113A, TYR113C, TYR126A, TYR126C, TYR157A, TYR157C, TYR162A, TYR162C, TYR166A, TYR166C, TYR47A, TYR47C, VAL132A, VAL132C, VAL13A, VAL13C, VAL160A, VAL160C, VAL189A, VAL189C, VAL58A, VAL58C
• A-D: ARG73A, ASN172D, GLN69A, GLN76A, GLU128D, GLU177D, GLU70A, GLU74A, GLU75A, GLY130D, GLY133D, GLY175D, LEU71A, LYS136D, LYS64A, LYS77A, PHE173D, SER131D, THR127D, THR129D, THR72A, VAL132D
• B-C: ASP154B, ASP48C
• B-D: ALA169B, ALA169D, ALA188B, ALA188D, ASN103B, ASN103D, ASN105B, ASN105D, ASN116B, ASN116D, ASN172B, ASN172D, ASN45B, ASN8B, ASP112B, ASP112D, ASP115B, ASP115D, ASP14B, ASP14D, ASP159B, ASP159D, ASP15B, ASP15D, ASP48B, ASP48D, ASP55B, ASP55D, GLU128B, GLU128D, GLU161B, GLU161D, GLU63B, GLU63D, GLY130B, GLY130D, GLY148B, GLY148D, GLY149B, GLY149D, HIS102B, HIS102D, HIS10B, HIS10D, HIS164B, HIS164D, ILE106B, ILE106D, ILE117B, ILE117D, ILE119B, ILE119D, ILE21B, ILE21D, ILE54B, ILE54D, LEU101B, LEU101D, LEU110B, LEU110D, LEU167B, LEU167D, LEU174B, LEU174D, LEU59B, LEU59D, LEU99B, LEU99D, LYS109B, LYS109D, LYS111B, LYS111D, LYS12B, LYS12D, LYS165B, LYS165D, LYS168B, LYS168D, LYS56B, LYS56D, PHE104B, PHE104D, PHE124B, PHE124D, PHE171B, PHE173B, PHE173D, PRO100B, PRO100D, PRO107B, PRO107D, PRO11B, PRO11D, PRO52B, PRO52D, SER108B, SER108D, SER131B, SER131D, SER163B, SER163D, SER17D, SER18B, SER18D, SER60B, SER60D, THR127B, THR127D, THR129B, THR129D, THR16D, THR57B, THR57D, TRP156B, TRP156D, TRP62B, TRP62D, TYR113B, TYR113D, TYR126B, TYR126D, TYR157B, TYR157D, TYR162B, TYR162D, TYR166B, TYR166D, TYR47B, TYR47D, VAL132B, VAL132D, VAL13B, VAL13D, VAL160B, VAL160D, VAL189B, VAL189D, VAL58B, VAL58D
• C-D: ARG73C, ASN153D, ASP154D, ASP155D, ASP159D, GLU74C, LYS77C, TRP156D, TYR157D