2CNB

trypanosoma brucei udp-galactose-4-epimerase in ternary complex with nad and the substrate analogue udp-4-deoxy-4- fluoro-alpha-d-galactose

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 106
  • Norm. En. per Res.: -3.9892
• 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	-36.2241	-111.7354	-274.894	-422.8535	106	11	13	11941	5	40	51
A-C	0.0	22.8773	-24.7102	-1.8329	18	3	0	1191	0	17	16
B-C	0.0	2.8864	-31.7862	-28.8998	37	0	0	2193	0	20	15
C-D	-40.9776	-112.2768	-257.955	-411.2094	106	19	12	11610	6	41	49

Interface residues

• A-B: ALA128A, ALA128B, ALA180A, ALA180B, ALA188A, ALA188B, ALA190A, ALA190B, ARG109A, ARG109B, ARG124A, ARG124B, ARG182A, ARG182B, ARG185A, ARG185B, ARG77A, ARG77B, ASN117A, ASN117B, ASP110A, ASP110B, ASP116A, ASP116B, ASP186A, ASP186B, CYS187A, CYS187B, GLN127A, GLN127B, GLU106A, GLU106B, GLU170A, GLU170B, GLU175A, GLU175B, GLU181A, GLU181B, GLU189A, GLU189B, GLU336A, GLU336B, GLU79A, GLY121A, GLY121B, ILE122A, ILE122B, ILE179A, ILE179B, ILE184A, ILE184B, ILE193A, ILE193B, LEU112A, LEU112B, LEU123A, LEU123B, LEU125A, LEU125B, LEU126A, LEU126B, LEU130A, LEU130B, LEU131A, LEU131B, LEU178A, LEU178B, LYS113A, LYS113B, LYS166A, LYS166B, LYS167A, LYS167B, MET129A, MET129B, MET183A, MET183B, PRO111A, PRO111B, PRO169A, PRO169B, PRO172A, PRO172B, SER107A, SER107B, SER168A, SER168B, SER171A, SER171B, SER176A, SER176B, THR150A, TYR114A, TYR114B, TYR115A, TYR115B, TYR173A, TYR173B, TYR191A, TYR191B, VAL108A, VAL108B, VAL119A, VAL119B, VAL120A, VAL120B
• A-C: ARG251C, ARG330C, ARG334A, ASN148A, ASP237C, ASP249C, ASP258A, GLU331A, GLU336A, GLY264A, GLY333A, GLY337A, LYS250C, PRO260A, THR248C, THR257A, THR261A, TYR259A
• B-C: ARG313C, ARG320C, ARG330C, ASN164B, ASN293B, ASP162B, ASP258C, ASP263C, ASP294B, ASP347B, GLU314C, GLU317C, GLU331C, GLU351B, GLY264C, ILE163B, ILE254C, ILE316C, ILE327C, LYS295B, LYS297B, LYS321C, LYS348B, PRO260C, PRO262C, PRO326C, PRO328C, SER296B, SER300B, SER311C, THR257C, THR261C, THR265C, TYR259C, TYR286B, VAL329C, VAL352B
• C-D: ALA128C, ALA128D, ALA180C, ALA180D, ALA188C, ALA188D, ALA190C, ALA190D, ARG109C, ARG109D, ARG124C, ARG124D, ARG182C, ARG182D, ARG185C, ARG185D, ARG77C, ARG77D, ASN117C, ASN117D, ASP110C, ASP110D, ASP116C, ASP116D, ASP186C, ASP186D, CYS187C, CYS187D, GLN127C, GLN127D, GLU106C, GLU106D, GLU170C, GLU170D, GLU175C, GLU175D, GLU181C, GLU181D, GLU189C, GLU189D, GLU336C, GLU336D, GLY121C, GLY121D, ILE122C, ILE122D, ILE179C, ILE179D, ILE184C, ILE184D, ILE193C, ILE193D, LEU112C, LEU112D, LEU123C, LEU123D, LEU125C, LEU125D, LEU126C, LEU126D, LEU130C, LEU130D, LEU131C, LEU131D, LEU178C, LEU178D, LYS113C, LYS113D, LYS166C, LYS166D, LYS167C, LYS167D, MET129C, MET129D, MET183C, MET183D, PRO111C, PRO111D, PRO169C, PRO169D, PRO172C, PRO172D, SER107C, SER107D, SER168C, SER168D, SER171C, SER171D, SER176C, SER176D, THR150C, THR150D, TYR114C, TYR114D, TYR115C, TYR115D, TYR173C, TYR173D, TYR191C, TYR191D, VAL108C, VAL108D, VAL119C, VAL119D, VAL120C, VAL120D