2IM5

crystal structure of nicotinate phosphoribosyltransferase from porphyromonas gingivalis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 83
  • Norm. En. per Res.: -3.1117
• 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	-22.9738	-79.6378	-102.6116	58	9	2	4882	0	28	23
A-C	-28.3405	-17.8248	-98.8276	-144.9929	70	13	0	4844	0	17	33
A-D	-6.125	-47.1396	-205.01	-258.2746	83	4	7	8058	3	28	25
B-C	0.0	-46.7014	-198.349	-245.0504	83	2	5	7863	3	28	25
B-D	-20.3972	-14.7159	-74.2232	-109.3362	66	4	0	4076	0	15	32
C-D	0.0	-26.4122	-92.6224	-119.0346	58	11	2	5033	2	28	22

Interface residues

• A-B: ALA266A, ALA266B, ARG294A, ARG294B, ASN238A, ASN238B, ASP241A, ASP241B, ASP243A, ASP243B, ASP296A, ASP296B, GLU234A, GLU234B, GLY242A, GLY242B, GLY245A, GLY245B, HIS265A, HIS265B, ILE237A, ILE237B, ILE299A, ILE299B, LEU244A, LEU244B, LEU268A, LEU268B, LEU293A, LEU293B, LYS263A, LYS263B, LYS264A, LYS264B, LYS298A, LYS298B, LYS300A, LYS300B, LYS325A, LYS325B, MET267A, MET267B, PHE269A, PHE269B, SER262A, SER262B, THR270A, THR270B, TYR230A, TYR230B, TYR240A, TYR240B, TYR301A, TYR301B, TYR76A, TYR76B, VAL295A, VAL295B
• A-C: ALA221A, ALA221C, ALA228A, ALA228C, ALA385A, ALA385C, ARG259A, ARG259C, ARG289A, ARG289C, ASN260A, ASN260C, ASN387A, ASN387C, ASP360A, ASP360C, ASP361A, ASP361C, CYS354A, CYS354C, CYS365A, CYS365C, GLU380A, GLU380C, GLU381A, GLU381C, GLY220A, GLY220C, GLY224A, GLY224C, GLY390A, GLY390C, HIS219A, HIS219C, HIS363A, HIS363C, ILE222A, ILE222C, LEU383A, LEU383C, LEU384A, LEU384C, LEU389A, LEU389C, LYS226A, LYS226C, LYS359A, LYS359C, MET227A, MET227C, MET356A, MET356C, MET386A, MET386C, PHE218A, PHE218C, THR388A, THR388C, TRP362A, TRP362C, TYR223A, TYR223C, TYR225A, TYR225C, TYR230A, TYR230C, TYR364A, TYR364C, VAL231A, VAL231C
• A-D: ALA22A, ALA22D, ALA28A, ALA28D, ALA358A, ALA358D, ARG115A, ARG115D, ARG27A, ARG27D, ARG72D, ARG89A, ARG89D, ASN238A, ASN238D, ASP241A, ASP241D, ASP243A, ASP243D, ASP83A, ASP83D, ASP86A, ASP86D, ASP91A, GLN71A, GLN71D, GLY18A, GLY18D, GLY87A, GLY87D, ILE80A, ILE80D, ILE82A, ILE82D, LEU112A, LEU112D, LEU113A, LEU24A, LEU24D, LEU74A, LEU74D, LEU77A, LEU77D, LEU85A, LEU85D, LYS23A, LYS23D, LYS359A, LYS359D, LYS67A, LYS67D, PHE25A, PHE25D, PHE84A, PHE84D, PHE88A, PHE88D, PRO26A, PRO26D, PRO75A, PRO75D, PRO78A, PRO78D, PRO79A, PRO79D, THR357A, THR357D, TYR114A, TYR114D, TYR19A, TYR19D, TYR21A, TYR21D, TYR240A, TYR240D, TYR29A, TYR29D, TYR76A, TYR76D, TYR81A, TYR81D, VAL239A, VAL239D
• B-C: ALA22B, ALA22C, ALA28B, ALA28C, ALA358B, ALA358C, ARG115B, ARG115C, ARG27B, ARG27C, ARG72B, ARG89B, ARG89C, ASN238B, ASN238C, ASP241B, ASP241C, ASP243B, ASP243C, ASP83B, ASP83C, ASP86B, ASP86C, ASP91C, GLN71B, GLN71C, GLY18B, GLY18C, GLY87B, GLY87C, ILE80B, ILE80C, ILE82B, ILE82C, LEU112B, LEU112C, LEU113C, LEU24B, LEU24C, LEU74B, LEU74C, LEU77B, LEU77C, LEU85B, LEU85C, LYS23B, LYS23C, LYS359B, LYS359C, LYS67B, LYS67C, PHE25B, PHE25C, PHE84B, PHE84C, PHE88B, PHE88C, PRO26B, PRO26C, PRO75B, PRO75C, PRO78B, PRO78C, PRO79B, PRO79C, THR357B, THR357C, TYR114B, TYR114C, TYR19B, TYR19C, TYR21B, TYR21C, TYR240B, TYR240C, TYR29B, TYR29C, TYR76B, TYR76C, TYR81B, TYR81C, VAL239B, VAL239C
• B-D: ALA221B, ALA221D, ALA228B, ALA228D, ALA385B, ALA385D, ARG259B, ARG259D, ARG289B, ARG289D, ASN260B, ASN260D, ASN387B, ASN387D, ASP360B, ASP360D, ASP361B, ASP361D, CYS354D, GLU380B, GLU380D, GLU381B, GLU381D, GLY220B, GLY220D, GLY224B, GLY224D, GLY390B, GLY390D, HIS219B, HIS219D, HIS363B, HIS363D, ILE222B, ILE222D, LEU383B, LEU383D, LEU384B, LEU384D, LEU389B, LEU389D, LYS226B, LYS226D, LYS359B, LYS359D, MET227B, MET227D, MET356B, MET356D, MET386B, MET386D, PHE218B, THR388B, THR388D, TRP362B, TRP362D, TYR223B, TYR223D, TYR225B, TYR225D, TYR230B, TYR230D, TYR364B, TYR364D, VAL231B, VAL231D
• C-D: ALA266C, ALA266D, ARG294C, ARG294D, ASN238C, ASN238D, ASP241C, ASP241D, ASP243C, ASP243D, ASP296C, ASP296D, GLU234C, GLU234D, GLY242C, GLY242D, GLY245C, GLY245D, HIS265C, HIS265D, ILE237C, ILE237D, ILE299C, ILE299D, LEU244C, LEU244D, LEU268C, LEU268D, LEU293C, LEU293D, LYS263C, LYS263D, LYS264C, LYS264D, LYS298C, LYS298D, LYS300C, LYS300D, LYS325C, LYS325D, MET267C, MET267D, PHE269C, PHE269D, SER262C, SER262D, THR270C, THR270D, TYR230C, TYR230D, TYR240C, TYR240D, TYR301C, TYR301D, TYR76C, TYR76D, VAL295C, VAL295D