1RRV

x-ray crystal structure of tdp-vancosaminyltransferase gtfd as a complex with tdp and the natural substrate, desvancosaminyl vancomycin.

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 20
  • Norm. En. per Res.: -2.4558
• 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	-13.1842	-44.5108	-125.143	-182.838	89	2	4	5601	3	20	16
A-C	-16.6041	0.0	-32.5128	-49.1169	20	1	0	954	0	0	0
B-D	-17.5332	0.0	-29.0706	-46.6038	22	1	0	969	0	0	0

Interface residues

• A-B: ALA235B, ALA262B, ALA265B, ALA304B, ALA338A, ALA342A, ALA343A, ALA349A, ALA362A, ALA362B, ALA363A, ALA363B, ALA369A, ALA369B, ALA374B, ARG152A, ARG264B, ARG268B, ARG269B, ARG285B, ARG340A, ARG373B, ARG375A, ARG375B, ASP150A, ASP283B, ASP286B, ASP287B, ASP351A, CYS288B, GLN266A, GLN266B, GLU261B, GLU358A, GLU358B, GLU371A, GLU371B, GLU377B, GLY147A, GLY236B, GLY267B, GLY339A, GLY345A, GLY347A, GLY352A, HIS135A, HIS350A, ILE151A, ILE263B, ILE346A, LEU136A, LEU154A, LEU326A, LEU344A, LEU360B, LEU364A, LEU364B, LEU368A, LEU368B, MET382A, PHE357B, PRO134A, PRO137A, PRO238B, PRO335A, PRO370A, PRO370B, SER237B, SER359A, SER359B, SER361A, SER361B, THR149A, THR356A, THR365A, THR365B, THR366A, THR366B, THR372A, THR372B, TYR140A, TYR336A, VAL148A, VAL260B, VAL327A, VAL341A, VAL348A, VAL367A, VAL379A
• A-C: ARG75A, ASN3C, ASP103A, CYS8A, GLN57A, GLN62A, GLU72A, GLU73A, LEU55A, LEU61A, LEU76A, MET59A, MET60A, MET79A, MET83A, PRO56A, PRO68A, THR10A, THR80A, TRP276A
• B-D: ALA77B, ASN3D, ASP103B, CYS8B, GLN57B, GLN62B, GLU72B, GLU73B, HIS58B, LEU55B, LEU61B, LEU76B, MET59B, MET60B, MET79B, MET83B, PRO56B, PRO67B, PRO68B, THR10B, THR80B, TRP276B