2VL8

crystal structure of the catalytic domain of lethal toxin from clostridium sordellii in complex with udp, castanospermine and calcium ion

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 50
  • Norm. En. per Res.: -0.8988
• Hub Node: A(2)

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	-18.5444	24.696	-51.0923	-44.9407	50	2	0	2425	2	26	30
A-C	-5.9489	0.6179	-28.3643	-33.6952	51	0	0	1656	1	16	17
B-C	-10.8235	28.5305	-69.2736	-51.5666	73	2	0	3821	1	34	33

Interface residues

• A-B: ALA220B, ALA234A, ASN122A, ASN197B, ASN204B, ASN212B, ASN222B, ASN230B, ASN236A, ASN238A, ASN97A, ASP120A, ASP124A, ASP203B, ASP217B, ASP280A, ASP355A, ASP364A, ASP365A, GLU199B, GLU219B, GLU226B, GLU95A, GLY281A, HIS99A, ILE201B, ILE225B, LEU218B, LEU221B, LEU229B, LEU98A, LYS119A, LYS128A, LYS207B, LYS223B, LYS356A, LYS391A, LYS96A, PHE130A, PHE200B, PRO93A, SER123A, SER211B, SER354A, THR126A, THR208B, THR233A, TYR125A, TYR326A, VAL127A
• A-C: ARG158C, ASN151C, ASN152C, ASN212C, ASN2A, ASN302A, ASN309A, ASN419C, ASN88A, ASN89A, ASP188C, ASP296A, ASP305A, ASP364A, ASP365A, ASP423C, GLN8A, GLU155C, GLU159C, GLU213C, GLU420C, GLU85A, GLY421C, GLY537C, GLY541C, HIS185C, ILE301A, ILE418C, ILE430C, LEU154C, LEU361A, LEU91A, LYS184C, LYS299A, LYS303A, LYS316A, LYS367A, MET1A, MET81A, PHE298A, PHE539C, PRO295A, PRO93A, SER215C, SER300A, THR422C, THR426C, TRP312A, TYR189C, TYR209C, TYR538C
• B-C: ALA220C, ALA234B, ALA234C, ARG241B, ARG241C, ASN113B, ASN116B, ASN122B, ASN134C, ASN197C, ASN204C, ASN212C, ASN222C, ASN230B, ASN230C, ASN235B, ASN236B, ASN238B, ASN242B, ASN242C, ASN97B, ASP124B, ASP203C, ASP217C, ASP239B, ASP239C, ASP280B, ASP355B, GLN193C, GLU199C, GLU219C, GLU226C, GLU227C, GLU244B, GLU244C, GLU95B, GLY237B, HIS99B, ILE112B, ILE201C, ILE225C, ILE232B, ILE232C, ILE240B, LEU218C, LEU229B, LEU229C, LEU243B, LYS119B, LYS128B, LYS207C, LYS223C, LYS231B, LYS245B, LYS96B, PHE130B, PHE136C, PHE200C, SER123B, SER133C, SER211C, SER228C, SER354B, SER357B, THR126B, THR208C, THR233B, THR233C, TYR125B, TYR131B, TYR131C, VAL127B, VAL129B