3RUC

specific recognition of n-acetylated substrates and domain flexibility in wbgu: a udp-galnac 4-epimerase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 113
  • Norm. En. per Res.: -3.0144
• Hub Node: A(3)

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	-25.5965	-11.7772	-182.035	-219.4088	81	22	4	7650	7	27	22
A-C	0.0	0.0	-0.0018	-0.0018	2	0	0	2	0	0	0
A-D	0.0	0.0	-0.0256	-0.0256	6	0	0	8	0	1	0
B-C	-2.6925	0.0	-14.0156	-16.7081	17	0	0	730	2	4	2
B-D	-4.8211	-45.8	-290.008	-340.6291	113	2	12	13608	1	10	12
C-D	-12.1718	-7.7751	-108.251	-128.1979	70	6	1	5070	0	12	16

Interface residues

• A-B: ALA116B, ALA206B, ALA208B, ALA25B, ARG106B, ARG296B, ARG299B, ARG320A, ARG4A, ARG80B, ASN124B, ASN204B, ASN227B, ASN40A, ASN48B, ASN56B, ASP110B, ASP202B, ASP254A, ASP315A, ASP47B, ASP78B, ASP81B, GLN10A, GLN11A, GLN54B, GLU6A, GLU76B, GLU7A, GLY102B, GLY205B, GLY52B, GLY77B, HIS53B, ILE108B, ILE112B, ILE13A, ILE314A, ILE79B, ILE8A, LEU101B, LEU12A, LEU251A, LEU316A, LEU317A, LEU39A, LEU57B, LEU82B, LYS17A, LYS213B, LYS253A, LYS318A, MET2A, PHE14A, PHE339B, PHE49B, PHE74B, PRO105B, PRO111B, PRO16A, SER103B, SER107B, SER15A, SER255A, SER300B, SER3A, SER50B, THR113B, THR114B, THR117B, THR120B, THR51B, THR84B, THR9A, TYR1A, TYR207B, TYR319A, TYR55B, TYR5A, VAL104B, VAL109B
• A-C: ARG330A, TYR1C
• A-D: ASN131D, GLN133D, GLN68A, GLU67A, LYS90D, THR62A
• B-C: ARG338C, ARG71C, ASN131B, GLN133B, GLN68C, GLU67C, HIS127B, LEU63C, LYS130B, LYS61C, LYS90B, SER65C, THR183B, THR62C, THR66C, TYR184B, VAL64C
• B-D: ALA116B, ALA116D, ALA128B, ALA128D, ALA167B, ALA167D, ALA177B, ALA177D, ARG106B, ARG182B, ARG182D, ARG80B, ARG80D, ASN115B, ASN115D, ASN118B, ASN118D, ASN124B, ASN124D, ASN131B, ASN131D, ASN161B, ASN161D, ASN173B, ASN173D, ASP110B, ASP110D, ASP148B, ASP148D, CYS85B, GLN178B, GLN178D, GLU174B, GLU174D, GLU86B, GLU86D, GLY121B, GLY121D, GLY147B, GLY147D, GLY160B, GLY160D, GLY301B, GLY301D, HIS127B, HIS127D, ILE108B, ILE108D, ILE112B, ILE112D, ILE119B, ILE119D, ILE125B, ILE125D, ILE159B, ILE159D, ILE175B, ILE175D, LEU123B, LEU123D, LEU126B, LEU126D, LEU163B, LEU163D, LEU82B, LEU82D, LYS130B, LYS130D, LYS170D, PHE122B, PHE122D, PRO111B, PRO111D, PRO162B, PRO162D, PRO165B, PRO165D, SER107B, SER107D, SER164B, SER164D, SER300B, SER300D, THR113B, THR113D, THR114B, THR114D, THR120B, THR120D, THR169B, THR169D, THR183B, THR183D, TYR166B, TYR166D, TYR171B, TYR171D, TYR176B, TYR176D, TYR180B, TYR180D, TYR184B, TYR184D, VAL104B, VAL104D, VAL109B, VAL109D, VAL168B, VAL168D, VAL172B, VAL172D, VAL179B, VAL179D
• C-D: ALA116D, ALA206D, ALA208D, ARG106D, ARG299D, ARG71C, ARG80D, ASN204D, ASN40C, ASN48D, ASP110D, ASP202D, ASP222D, ASP223D, ASP78D, ASP93C, GLN10C, GLN11C, GLN133C, GLN135C, GLN41C, GLN54D, GLN68C, GLU67C, GLU76D, GLU7C, GLY205D, GLY221D, GLY52D, GLY91C, HIS53D, ILE108D, ILE13C, LEU101D, LEU12C, LEU37C, LEU39C, LYS17C, LYS220D, LYS294D, LYS38C, LYS90C, PHE14C, PHE49D, PRO105D, PRO111D, PRO165D, PRO16C, PRO203D, SER103D, SER107D, SER15C, SER300D, SER50D, SER65C, SER70C, THR113D, THR114D, THR117D, THR18C, THR51D, THR66C, TRP69C, TYR207D, TYR225D, TYR55D, VAL104D, VAL109D, VAL42C, VAL64C