1R45

adp-ribosyltransferase c3bot2 from clostridium botulinum, triclinic form

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 74
  • Norm. En. per Res.: -2.8465
• Hub Node: A(1)

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-C	-8.8786	0.0	-201.765	-210.6436	74	3	0	7582	0	12	13
B-D	0.0	0.0	-190.833	-190.833	71	3	0	7291	0	12	13
C-D	-3.7232	-3.7334	-109.546	-117.0026	58	4	2	4647	0	12	20

Interface residues

• A-C: ALA180A, ALA180C, ALA55A, ALA55C, ARG185A, ARG185C, ARG234A, ARG234C, ARG81A, ARG81C, ASN145A, ASN145C, ASN232A, ASN232C, ASN233A, ASN233C, ASN51A, ASN51C, ASP147A, ASP147C, ASP203A, ASP203C, GLN181A, GLN181C, GLN211A, GLN211C, GLN235A, GLN235C, GLU53A, GLU53C, GLU54A, GLU54C, GLY148A, GLY148C, GLY183A, GLY183C, GLY184A, GLY184C, GLY210A, GLY210C, ILE150A, ILE150C, LEU144A, LEU212A, LEU212C, LYS146A, LYS146C, LYS56A, LYS56C, LYS77A, LYS77C, MET178A, MET178C, PHE182A, PHE182C, PHE208A, PHE208C, PRO209A, PRO209C, PRO231A, PRO231C, SER176A, SER179A, SER179C, SER206A, SER206C, SER230A, SER230C, THR149A, THR149C, TYR207A, TYR207C, VAL52A, VAL52C
• B-D: ALA180B, ALA180D, ALA55B, ALA55D, ARG185B, ARG185D, ARG234B, ARG234D, ARG81B, ARG81D, ASN145B, ASN145D, ASN232B, ASN232D, ASN233B, ASN233D, ASN51B, ASN51D, ASP147B, ASP147D, ASP203B, ASP203D, GLN181B, GLN181D, GLN211B, GLN211D, GLN235B, GLN235D, GLU53B, GLU53D, GLU54B, GLU54D, GLY148B, GLY148D, GLY183B, GLY183D, GLY184B, GLY184D, GLY210B, GLY210D, ILE150B, LEU144B, LEU212B, LEU212D, LYS146B, LYS146D, LYS56B, LYS56D, LYS77D, MET178B, MET178D, PHE182B, PHE182D, PHE208B, PHE208D, PRO209B, PRO209D, PRO231B, PRO231D, SER179B, SER179D, SER206B, SER206D, SER230B, SER230D, THR149B, THR149D, TYR207B, TYR207D, VAL52B, VAL52D
• C-D: ARG167C, ARG167D, ASN123C, ASN123D, ASN195C, ASN195D, ASP166C, ASP166D, ASP226C, ASP226D, GLN122C, GLN122D, GLY196C, GLY196D, ILE124D, ILE224C, ILE224D, ILE242C, ILE242D, LEU163D, LYS164C, LYS164D, LYS165C, LYS165D, LYS192C, LYS192D, LYS198D, LYS244C, LYS244D, MET120C, MET120D, MET241C, MET241D, PHE243C, PHE243D, PHE46C, PHE46D, PRO121C, SER197C, SER197D, SER221C, SER221D, SER225C, SER225D, THR168C, THR168D, THR194C, THR194D, THR239D, THR45C, THR45D, THR47C, TYR222C, TYR222D, TYR223C, TYR223D, VAL193C, VAL193D