1PNV

crystal structure of tdp-epi-vancosaminyltransferase gtfa in complexes with tdp and vancomycin

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 26
  • Norm. En. per Res.: -1.9115
• 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-B	-6.7543	10.5595	-163.45	-159.6448	93	9	3	6602	1	30	38
B-C	-16.1256	0.0	-33.5735	-49.6991	26	1	0	1197	0	0	0

Interface residues

• A-B: ALA211B, ALA215B, ALA22A, ALA261B, ALA29A, ALA373A, ALA379A, ALA380A, ALA386A, ALA44B, ALA61B, ALA95A, ARG207B, ARG23A, ARG258B, ARG25A, ARG2A, ARG304A, ARG372A, ARG42B, ARG58B, ASP205A, ASP262B, ASP267B, ASP268B, ASP30A, ASP369A, ASP374A, ASP385A, ASP38B, ASP94A, CYS272B, CYS43B, CYS93A, GLN381A, GLU206A, GLU206B, GLU212B, GLU26A, GLU277B, GLU390A, GLU41B, GLU45B, GLY116A, GLY259B, GLY276B, GLY28A, GLY375A, GLY47B, GLY60B, GLY92A, ILE117A, ILE202A, ILE371A, LEU203A, LEU20A, LEU213B, LEU24A, LEU256B, LEU263B, LEU265B, LEU27A, LEU382A, LEU383A, LEU389A, MET1A, MET50B, PHE216B, PHE273B, PHE384A, PRO118A, PRO204A, PRO208B, PRO266B, PRO37B, PRO52B, SER210B, SER230B, SER257B, SER388A, THR376A, THR377A, TRP260B, TYR39B, VAL264B, VAL274B, VAL275B, VAL278B, VAL378A, VAL387A, VAL3A, VAL40B, VAL46B
• B-C: ALA104B, ALA105B, ALA145B, ALA71B, ALA72B, ASN3C, GLU73B, GLY100B, GLY144B, GLY70B, LEU101B, LEU102B, LEU148B, PHE149B, PRO103B, PRO68B, PRO69B, TYR121B, TYR141B, TYR169B, TYR173B, VAL106B, VAL74B, VAL75B, VAL78B, VAL79B