3LU1

crystal structure analysis of wbgu: a udp-galnac 4-epimerase

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 80
  • Norm. En. per Res.: -3.2924
• 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	0.0	0.0	-0.0026	-0.0026	2	0	0	1	0	1	0
A-D	-34.1425	-37.8542	-191.396	-263.3927	80	19	4	7713	7	26	22
B-C	-10.5417	-4.1453	-107.487	-122.174	71	4	1	5018	0	12	16
B-D	-7.8685	-58.2208	-285.598	-351.6872	118	9	12	13731	3	10	13
C-D	-2.659	0.0	-15.6344	-18.2934	16	0	0	764	1	4	2

Interface residues

• A-B: GLN133B, GLU67A
• A-D: ALA116D, ALA206D, ALA208D, ALA25D, ARG106D, ARG296D, ARG299D, ARG320A, ARG4A, ARG80D, ASN124D, ASN204D, ASN227D, ASN40A, ASN48D, ASN56D, ASP110D, ASP202D, ASP254A, ASP315A, ASP47D, ASP58D, ASP78D, ASP81D, GLN10A, GLN11A, GLN54D, GLU6A, GLU76D, GLU7A, GLY102D, GLY205D, GLY52D, GLY77D, HIS53D, ILE108D, ILE112D, ILE13A, ILE314A, ILE79D, ILE8A, LEU101D, LEU12A, LEU251A, LEU316A, LEU317A, LEU57D, LEU82D, LYS17A, LYS213D, LYS253A, LYS318A, MET2A, PHE14A, PHE339D, PHE49D, PHE74D, PRO105D, PRO111D, PRO16A, SER103D, SER107D, SER15A, SER255A, SER300D, SER3A, SER50D, THR113D, THR114D, THR117D, THR120D, THR51D, THR84D, THR9A, TYR1A, TYR207D, TYR319A, TYR55D, TYR5A, VAL109D
• B-C: ALA116B, ALA132C, ALA206B, ALA208B, ARG106B, ARG299B, ARG71C, ARG80B, ASN204B, ASN40C, ASN48B, ASP110B, ASP202B, ASP222B, ASP223B, ASP78B, ASP93C, GLN10C, GLN11C, GLN133C, GLN135C, GLN41C, GLN54B, GLN68C, GLU67C, GLU76B, GLU7C, GLY205B, GLY52B, GLY91C, HIS53B, ILE108B, ILE13C, LEU101B, LEU12C, LEU340B, LEU37C, LEU39C, LYS17C, LYS220B, LYS294B, LYS38C, LYS90C, PHE14C, PHE49B, PRO105B, PRO111B, PRO165B, PRO16C, PRO203B, SER103B, SER107B, SER15C, SER300B, SER50B, SER65C, SER70C, THR113B, THR114B, THR117B, THR18C, THR51B, THR66C, TRP69C, TYR207B, TYR225B, TYR55B, VAL109B, VAL42C, VAL64C, VAL92C
• B-D: ALA116B, ALA116D, ALA128B, ALA128D, ALA129D, ALA167B, ALA167D, ALA177B, ALA177D, ARG106B, ARG106D, ARG182B, ARG182D, ARG80B, ARG80D, ASN115B, ASN115D, ASN118B, ASN118D, ASN124B, ASN124D, ASN131B, ASN131D, ASN161B, ASN161D, ASN173B, ASN173D, ASP110B, ASP110D, ASP148B, ASP148D, CYS85B, CYS85D, 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, PRO105B, PRO111B, PRO111D, PRO162B, PRO162D, PRO165B, PRO165D, SER107B, SER107D, SER164B, SER164D, SER300B, SER300D, THR113B, THR113D, THR114B, THR114D, THR120B, THR120D, THR145B, 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: ARG338C, ASN131D, GLN133D, GLN68C, GLU67C, HIS127D, LEU63C, LYS130D, LYS61C, LYS90D, SER65C, THR183D, THR62C, THR66C, TYR184D, VAL64C