3FFS

the crystal structure of cryptosporidium parvum inosine-5'- monophosphate dehydrogenase

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 110
  • Norm. En. per Res.: -3.8179
• 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	-58.6526	-2.3518	-310.277	-371.2814	112	11	9	12970	0	13	16
A-C	0.0	0.0	-0.0507	-0.0507	3	0	0	20	0	2	0
A-D	-97.4008	0.0	-322.569	-419.9698	110	15	11	12814	0	13	17
B-C	-77.104	-2.5173	-293.267	-372.8883	112	15	10	12943	0	13	16
C-D	-73.053	0.0	-307.821	-380.874	103	14	13	12475	0	13	17

Interface residues

• A-B: ALA165B, ALA197B, ALA225B, ALA234B, ALA266A, ARG174B, ARG256A, ARG353A, ASN171B, ASN191B, ASN204B, ASN20A, ASN5B, ASP14A, ASP14B, ASP260A, CYS355A, GLN231B, GLN347A, GLU13A, GLU13B, GLU195B, GLU196B, GLU200B, GLU236A, GLU23A, GLU366A, GLU375A, GLU375B, GLY167B, GLY212B, GLY226B, GLY228B, GLY259A, GLY262A, GLY268A, GLY350A, GLY351A, GLY357A, GLY360A, GLY7B, GLY9B, HIS166B, HIS168B, ILE15A, ILE172B, ILE173B, ILE213B, ILE223B, ILE232A, ILE261A, ILE376A, ILE376B, ILE6B, LEU10A, LEU10B, LEU16A, LEU170B, LEU17A, LEU201B, LEU25A, LEU265A, LEU348A, LEU352A, LEU359A, LEU367A, LYS237B, LYS263A, LYS369A, LYS370A, LYS4B, LYS8A, LYS8B, MET356A, PHE12A, PHE12B, PRO19A, PRO230B, PRO26A, SER164B, SER169B, SER22A, SER239A, SER258A, SER354A, SER371A, SER372A, SER379A, THR11B, THR194B, THR233A, THR233B, THR377A, THR377B, THR378A, THR378B, THR3B, TRP368A, TYR21A, TYR257A, TYR358A, TYR373A, VAL143B, VAL18A, VAL192B, VAL193B, VAL224B, VAL227B, VAL229B, VAL24A, VAL267A, VAL374A
• A-C: THR377A, THR378A, THR378C
• A-D: ALA165A, ALA197A, ALA225A, ALA234A, ALA266D, ARG174A, ARG256A, ARG256D, ASN171A, ASN191A, ASN20D, ASN5A, ASP14A, ASP14D, ASP260D, CYS355D, GLN231A, GLN347D, GLU13A, GLU195A, GLU196A, GLU200A, GLU236D, GLU23D, GLU28D, GLU366D, GLU375A, GLU375D, GLY167A, GLY212A, GLY226A, GLY228A, GLY259D, GLY262D, GLY268D, GLY350D, GLY351D, GLY357D, GLY360D, GLY7A, GLY9A, HIS166A, HIS168A, ILE15A, ILE15D, ILE172A, ILE173A, ILE213A, ILE223A, ILE232D, ILE261D, ILE376A, ILE376D, ILE6A, LEU10A, LEU10D, LEU16D, LEU170A, LEU17D, LEU201A, LEU25D, LEU265D, LEU348D, LEU352D, LEU359D, LEU367D, LYS237A, LYS263D, LYS369D, LYS370D, LYS4A, LYS8A, LYS8D, MET356D, PHE12D, PRO19D, PRO230A, PRO26D, SER164A, SER169A, SER22D, SER258D, SER354D, SER361D, SER371D, SER372D, THR11A, THR194A, THR233A, THR233D, THR377A, THR377D, THR378A, THR378D, THR3A, TRP368D, TYR21D, TYR257D, TYR358D, TYR373D, VAL143A, VAL18D, VAL192A, VAL193A, VAL224A, VAL227A, VAL229A, VAL24D, VAL267D, VAL374D
• B-C: ALA165C, ALA197C, ALA225C, ALA234C, ALA266B, ARG174C, ARG256B, ARG256C, ARG27B, ASN171C, ASN191C, ASN20B, ASN5C, ASP14B, ASP14C, ASP260B, CYS355B, GLN231C, GLN347B, GLU13B, GLU13C, GLU195C, GLU196C, GLU200C, GLU236B, GLU23B, GLU28B, GLU365B, GLU366B, GLU375B, GLU375C, GLY167C, GLY212C, GLY226C, GLY228C, GLY259B, GLY262B, GLY268B, GLY350B, GLY351B, GLY357B, GLY360B, GLY7C, GLY9C, HIS166C, HIS168C, ILE15B, ILE15C, ILE172C, ILE173C, ILE213C, ILE223C, ILE232B, ILE261B, ILE376B, ILE376C, ILE6C, LEU10B, LEU10C, LEU16B, LEU170C, LEU17B, LEU25B, LEU265B, LEU348B, LEU352B, LEU359B, LEU367B, LYS237C, LYS263B, LYS369B, LYS370B, LYS4C, LYS8C, MET356B, PHE12B, PHE12C, PRO19B, PRO230C, PRO26B, SER164C, SER169C, SER22B, SER239B, SER258B, SER354B, SER371B, SER372B, SER379B, THR11C, THR194C, THR233C, THR377B, THR377C, THR378B, THR378C, THR3C, TRP368B, TYR21B, TYR257B, TYR358B, TYR373B, VAL143C, VAL18B, VAL192C, VAL193C, VAL224C, VAL227C, VAL229C, VAL24B, VAL267B, VAL374B
• C-D: ALA165D, ALA197D, ALA225D, ALA234D, ALA266C, ARG256C, ARG256D, ARG353C, ASN171D, ASN191D, ASN20C, ASN5D, ASP14C, ASP14D, ASP260C, CYS355C, GLN231D, GLN347C, GLU13C, GLU13D, GLU195D, GLU196D, GLU200D, GLU236C, GLU23C, GLU375C, GLU375D, GLY167D, GLY212D, GLY226D, GLY228D, GLY259C, GLY262C, GLY350C, GLY351C, GLY357C, GLY360C, GLY7D, GLY9D, HIS166D, HIS168D, ILE15C, ILE15D, ILE172D, ILE173D, ILE213D, ILE223D, ILE232C, ILE261C, ILE376C, ILE376D, ILE6D, LEU10C, LEU10D, LEU16C, LEU170D, LEU17C, LEU25C, LEU348C, LEU352C, LEU359C, LYS263C, LYS370C, LYS4D, LYS8C, LYS8D, MET356C, PHE12C, PHE12D, PRO19C, PRO230D, PRO26C, SER164D, SER169D, SER22C, SER258C, SER354C, SER371C, SER372C, SER379C, THR11D, THR194D, THR233C, THR233D, THR377C, THR377D, THR378C, THR378D, THR3D, TRP368C, TYR21C, TYR257C, TYR358C, TYR373C, VAL18C, VAL192D, VAL193D, VAL224D, VAL227D, VAL229D, VAL24C, VAL267C, VAL374C