3RU9

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: A-B
  • Int. Res.: 83
  • Norm. En. per Res.: -3.6559
• 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	-31.3197	-48.2096	-223.91	-303.4392	83	6	4	7942	7	28	21
A-C	-4.0247	-40.4111	-304.559	-348.9947	113	5	12	14035	0	10	10
A-D	-6.1514	-20.3321	-15.5859	-42.0694	23	3	0	958	2	4	3
B-C	0.0	0.0	-0.2886	-0.2886	14	0	0	73	0	2	2
B-D	0.0	0.0	-4.0757	-4.0757	4	2	0	209	0	0	0
C-D	-18.0129	-2.2782	-108.334	-128.6251	66	9	2	5085	0	11	14

Interface residues

• A-B: ALA116A, ALA206A, ALA208A, ALA25A, ARG106A, ARG296A, ARG299A, ARG320B, ARG4B, ARG80A, ASN115A, ASN124A, ASN204A, ASN227A, ASN40B, ASN48A, ASN56A, ASP110A, ASP202A, ASP254B, ASP315B, ASP47A, ASP58A, ASP78A, ASP81A, GLN10B, GLN11B, GLN54A, GLU6B, GLU76A, GLU7B, GLY102A, GLY205A, GLY52A, GLY77A, HIS53A, ILE108A, ILE112A, ILE13B, ILE314B, ILE79A, ILE8B, LEU101A, LEU12B, LEU251B, LEU316B, LEU317B, LEU39B, LEU57A, LEU82A, LYS17B, LYS213A, LYS253B, LYS318B, MET2B, PHE14B, PHE339A, PHE49A, PHE74A, PRO105A, PRO111A, PRO16B, SER103A, SER107A, SER15B, SER255B, SER300A, SER3B, SER50A, THR113A, THR114A, THR117A, THR120A, THR51A, THR84A, THR9B, TYR1B, TYR207A, TYR319B, TYR55A, TYR5B, VAL104A, VAL109A
• A-C: ALA116A, ALA116C, ALA128A, ALA128C, ALA167A, ALA167C, ALA177A, ALA177C, ARG106A, ARG182A, ARG182C, ARG80A, ARG80C, ASN115A, ASN115C, ASN118A, ASN118C, ASN124A, ASN124C, ASN131A, ASN131C, ASN161A, ASN161C, ASN173A, ASN173C, ASP110A, ASP110C, ASP148A, ASP148C, GLN178A, GLN178C, GLU174A, GLU86A, GLU86C, GLY121A, GLY121C, GLY147A, GLY147C, GLY160A, GLY160C, GLY301A, GLY301C, HIS127A, HIS127C, ILE108A, ILE108C, ILE112A, ILE112C, ILE119A, ILE119C, ILE125A, ILE125C, ILE159A, ILE159C, ILE175A, ILE175C, LEU123A, LEU123C, LEU126A, LEU126C, LEU163A, LEU163C, LEU82A, LEU82C, LYS130A, LYS130C, LYS170C, PHE122A, PHE122C, PRO105A, PRO111A, PRO111C, PRO162A, PRO162C, PRO165A, PRO165C, SER107A, SER107C, SER164A, SER164C, SER300A, THR113A, THR113C, THR114A, THR114C, THR120A, THR120C, THR145A, THR169A, THR169C, THR183A, THR183C, THR83C, TYR166A, TYR166C, TYR171A, TYR171C, TYR176A, TYR176C, TYR180A, TYR180C, TYR184A, TYR184C, VAL104A, VAL104C, VAL109A, VAL109C, VAL168A, VAL168C, VAL172A, VAL172C, VAL179A, VAL179C
• A-D: ALA132A, ARG338D, ASN131A, ASN40D, GLN133A, GLN68D, GLU67D, GLU86A, HIS127A, LEU63D, LEU82A, LYS130A, LYS38D, LYS61D, LYS90A, SER65D, THR183A, THR62D, THR66D, TRP69D, TYR180A, TYR184A, VAL64D
• B-C: ASN131C, GLN133C, GLN68B, GLN87C, GLU67B, GLU86C, HIS127C, ILE13B, LEU63B, LYS38B, LYS90C, SER65B, THR62B, THR83C
• B-D: ARG326B, ARG330B, GLU327B, TYR1D
• C-D: ALA116C, ALA132D, ALA206C, ARG106C, ARG71D, ARG80C, ASN204C, ASN40D, ASN48C, ASP110C, ASP202C, ASP222C, ASP223C, ASP78C, ASP93D, GLN10D, GLN11D, GLN133D, GLN135D, GLN41D, GLN54C, GLN68D, GLU67D, GLU76C, GLU7D, GLY205C, GLY52C, GLY91D, HIS53C, ILE108C, ILE112C, ILE13D, LEU101C, LEU12D, LEU37D, LEU39D, LYS17D, LYS220C, LYS294C, LYS38D, LYS90D, PHE14D, PHE49C, PRO105C, PRO111C, PRO165C, PRO16D, SER103C, SER107C, SER15D, SER50C, SER65D, SER70D, THR113C, THR114C, THR117C, THR18D, THR51C, THR66D, TRP69D, TYR207C, TYR225C, TYR55C, VAL104C, VAL109C, VAL42D