3RFV

crystal structure of uronate dehydrogenase from agrobacterium tumefaciens complexed with nadh and product

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 144
  • Norm. En. per Res.: -4.0177
• 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	0.0	19.2999	-135.707	-116.4071	61	3	3	5314	1	16	15
B-C	-100.4612	-51.5712	-426.511	-578.5435	144	17	6	17101	6	26	34

Interface residues

• A-B: ALA191A, ALA195A, ALA208B, ALA211B, ARG105A, ARG123B, ARG174B, ARG194A, ARG234B, ARG235B, ARG252B, ASN209B, ASN216A, ASN229B, ASN247B, ASP210B, ASP215A, ASP215B, ASP245B, ASP248B, CYS200A, GLN120B, GLN254B, GLU122B, GLU157A, GLU190A, GLU231B, GLY125B, GLY199A, GLY212B, GLY220A, GLY223A, HIS218A, LEU124B, LEU176B, LEU198A, LEU219A, LEU222A, LEU250B, LYS225A, LYS227A, PHE151A, PHE193A, PHE221A, PHE253B, PRO119B, PRO196A, PRO201A, PRO243B, PRO244B, PRO246B, SER177B, SER217A, THR121B, THR238B, TRP213B, TRP214B, TRP224A, TYR173B, VAL197A, VAL251B
• B-C: ALA100B, ALA100C, ALA130B, ALA130C, ALA147B, ALA147C, ALA53B, ALA53C, ALA55B, ALA55C, ALA97B, ALA97C, ARG131B, ARG131C, ARG148B, ARG148C, ARG162B, ARG162C, ARG99B, ARG99C, ASN145B, ASN145C, ASN261B, ASN261C, ASN59C, ASN87B, ASN87C, ASN93B, ASN93C, ASP127B, ASP127C, ASP133B, ASP133C, ASP152B, ASP152C, ASP260B, ASP260C, CYS141B, CYS141C, CYS200B, CYS200C, GLN266B, GLN266C, GLN85B, GLN85C, GLU144B, GLU144C, GLU77B, GLU77C, GLU81B, GLU81C, GLU96B, GLU96C, GLY116B, GLY116C, GLY134B, GLY134C, GLY137B, GLY137C, GLY143B, GLY143C, GLY90B, GLY90C, HIS113B, HIS113C, ILE115B, ILE115C, ILE263B, ILE263C, ILE83B, ILE83C, ILE88B, ILE88C, ILE89B, ILE89C, LEU135B, LEU135C, LEU146B, LEU146C, LEU84B, LEU84C, LEU91B, LEU91C, LYS140B, LYS140C, LYS153B, LYS153C, LYS265B, LYS265C, LYS78C, MET149B, MET149C, PHE142B, PHE142C, PHE151B, PHE151C, PHE154B, PHE154C, PHE253B, PHE253C, PHE258B, PHE258C, PHE264B, PHE264C, PHE80B, PHE80C, PRO119B, PRO119C, PRO126B, PRO126C, PRO129B, PRO129C, PRO132B, PRO132C, PRO262B, PRO262C, PRO79B, PRO79C, SER139B, SER139C, THR114B, THR114C, THR257B, THR257C, TYR117B, TYR117C, TYR118B, TYR118C, TYR136B, TYR136C, TYR150B, TYR150C, TYR92B, TYR92C, TYR95B, TYR95C, VAL128B, VAL128C, VAL138B, VAL138C, VAL202B, VAL202C, VAL259B, VAL259C