3DV2

crystal structure of nicotinic acid mononucleotide adenylyltransferase from bacillus anthracis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 40
  • Norm. En. per Res.: -6.0696
• 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	-56.4337	-63.6932	-228.797	-348.9238	91	14	7	9908	13	26	31
A-C	-62.0435	-61.8422	-118.897	-242.7827	40	9	3	4552	4	13	16
A-D	-2.1017	-5.5713	-47.2042	-54.8772	52	10	0	2307	0	15	19
B-C	0.0	26.2974	-35.6569	-9.3595	43	6	0	1868	1	14	20
B-D	0.0	0.0	-10.8792	-10.8792	13	0	0	395	0	5	4
C-D	-50.2441	-57.3843	-221.865	-329.4934	90	14	7	9927	11	28	30

Interface residues

• A-B: ALA153A, ALA153B, ALA22A, ALA22B, ALA28A, ALA28B, ALA63A, ALA63B, ALA66A, ALA66B, ARG133A, ARG133B, ARG162A, ARG162B, ASN23A, ASN23B, CYS169A, CYS169B, GLU148A, GLU148B, GLU151A, GLU151B, GLU175A, GLU175B, GLU24A, GLU24B, GLU67A, GLU67B, GLU68A, GLU68B, GLY17A, GLY17B, HIS18A, HIS18B, HIS27A, HIS27B, HIS69A, HIS69B, ILE149A, ILE149B, ILE21A, ILE21B, LEU158A, LEU158B, LEU159A, LEU159B, LEU172A, LEU172B, LEU173A, LEU173B, LEU19A, LEU19B, LEU20A, LEU20B, LYS166A, LYS166B, LYS167A, LYS167B, LYS170A, LYS170B, LYS176B, PHE152A, PHE152B, PHE36A, PHE36B, PHE70A, PHE70B, PRO134A, PRO134B, PRO150A, PRO150B, PRO174A, PRO174B, SER155A, SER155B, THR168A, THR168B, THR64A, THR64B, TYR16A, TYR16B, TYR171A, TYR171B, TYR26A, TYR26B, VAL147A, VAL147B, VAL154A, VAL154B, VAL25A, VAL25B
• A-C: ALA132A, ALA132C, ARG133A, ARG133C, ARG139A, ARG139C, ASP108A, ASP108C, GLU111A, GLU111C, GLU148A, GLU148C, GLY106A, GLY106C, GLY107A, GLY107C, GLY130A, GLY135A, GLY135C, ILE144A, LEU138A, LEU138C, LYS137A, LYS137C, MET109A, MET109C, PRO134A, PRO134C, PRO141A, PRO141C, THR140A, THR140C, THR146A, THR146C, TYR136A, TYR136C, VAL110A, VAL110C, VAL131A, VAL131C
• A-D: ALA153A, ALA153D, ARG133A, ARG133D, ARG139A, ARG139D, ARG160A, ARG162A, ASP108A, ASP108D, GLN46A, GLU111A, GLU111D, GLU120D, GLU161A, HIS44A, ILE119D, ILE50A, LEU113D, LEU123D, LEU138D, LEU158A, LEU158D, LEU159A, LYS115A, LYS115D, LYS137D, LYS164A, LYS167D, LYS45A, LYS45D, MET109A, MET109D, PRO114D, PRO141D, PRO42A, PRO43A, PRO82A, SER155A, SER156A, SER157A, SER157D, THR140D, TRP116A, TYR112A, TYR112D, TYR117A, TYR136D, TYR142D, TYR84A, VAL110D, VAL154A
• B-C: ALA153B, ARG133B, ARG133C, ARG139B, ARG139C, ARG160C, ASP108B, ASP12C, GLN46C, GLU111B, GLU111C, GLU161C, GLU165C, GLY47C, HIS44C, ILE119B, ILE41C, LEU113B, LEU138B, LEU158B, LEU158C, LYS115B, LYS115C, LYS137B, LYS164C, LYS167B, LYS45C, PRO114B, PRO141B, PRO42C, PRO43C, SER155C, SER156C, SER157B, SER157C, THR10C, THR140B, TRP116B, TYR112B, TYR112C, TYR142B, TYR84C, VAL110B
• B-D: ARG133B, ARG133D, ARG139D, GLU148B, GLU148D, GLY135B, GLY135D, LYS137B, LYS137D, PRO134B, PRO134D, TYR136B, TYR136D
• C-D: ALA153C, ALA153D, ALA22C, ALA22D, ALA28C, ALA28D, ALA63C, ALA63D, ALA66C, ALA66D, ARG133C, ARG133D, ARG162C, ARG162D, ASN23C, ASN23D, CYS169C, CYS169D, GLU148C, GLU148D, GLU151C, GLU151D, GLU175C, GLU175D, GLU24C, GLU24D, GLU67C, GLU67D, GLU68C, GLU68D, GLY17C, GLY17D, HIS18C, HIS18D, HIS27C, HIS27D, HIS69C, HIS69D, ILE149C, ILE149D, ILE21C, ILE21D, LEU158C, LEU158D, LEU159C, LEU159D, LEU172C, LEU172D, LEU173C, LEU173D, LEU19C, LEU19D, LEU20C, LEU20D, LYS166C, LYS166D, LYS167C, LYS167D, LYS170C, LYS170D, PHE152C, PHE152D, PHE36C, PHE36D, PHE70C, PHE70D, PRO134C, PRO134D, PRO150C, PRO150D, PRO174C, PRO174D, SER155C, SER155D, THR168C, THR168D, THR64C, THR64D, TYR16C, TYR16D, TYR171C, TYR171D, TYR26C, TYR26D, VAL147C, VAL147D, VAL154C, VAL154D, VAL25C, VAL25D