3Q91

crystal structure of human uridine diphosphate glucose pyrophosphatase (nudt14)

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 121
  • Norm. En. per Res.: -3.0213
• 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	-29.6058	-22.5032	-229.719	-281.828	98	10	12	10434	0	18	7
C-D	-32.1463	-54.1043	-279.332	-365.5826	121	13	15	12998	2	23	15
B-D	-11.9595	-4.675	-47.2354	-63.8699	39	2	1	2511	0	8	11

Interface residues

• A-B: ALA105A, ALA140A, ALA140B, ALA193A, ALA193B, ALA64A, ALA67A, ARG137B, ARG138A, ARG138B, ARG152A, ARG152B, ARG62A, ASP194A, ASP194B, ASP195A, ASP195B, ASP197A, ASP197B, ASP41B, GLN153A, GLN153B, GLN190A, GLN190B, GLN214A, GLN214B, GLN60A, GLU102A, GLU102B, GLU69A, GLU71A, GLY145A, GLY145B, GLY150A, GLY203A, GLY203B, GLY207A, GLY207B, GLY68A, HIS40B, ILE198A, ILE198B, ILE205A, ILE205B, LEU103A, LEU103B, LEU202A, LEU202B, LEU212A, LEU212B, LYS200A, LYS200B, MET155A, MET155B, PHE206A, PHE206B, PHE211A, PHE61A, PRO196A, PRO196B, PRO199A, PRO199B, PRO63A, SER144A, SER144B, SER151B, SER209A, SER209B, SER213A, SER213B, THR100A, THR100B, THR141A, THR141B, THR154A, THR154B, THR201A, THR201B, THR44A, THR44B, TRP143A, TRP143B, TRP210A, TRP210B, TYR142A, TYR142B, TYR66A, VAL101A, VAL101B, VAL139A, VAL139B, VAL146B, VAL204A, VAL204B, VAL208A, VAL208B, VAL65A, VAL70A
• C-D: ALA105C, ALA140C, ALA140D, ALA193C, ALA193D, ALA64C, ALA64D, ALA67C, ALA67D, ARG137C, ARG138C, ARG138D, ARG152C, ARG152D, ARG62C, ARG62D, ARG72C, ARG72D, ASP194C, ASP194D, ASP195C, ASP195D, ASP197C, ASP197D, ASP41C, ASP41D, GLN153C, GLN153D, GLN190C, GLN190D, GLN214C, GLN214D, GLN60C, GLN60D, GLU102C, GLU102D, GLU69C, GLU69D, GLU71C, GLU71D, GLY145C, GLY145D, GLY150C, GLY150D, GLY203C, GLY203D, GLY207C, GLY207D, GLY68C, GLY68D, GLY98C, GLY98D, HIS40C, HIS40D, ILE198C, ILE198D, ILE205C, ILE205D, LEU103C, LEU103D, LEU202C, LEU202D, LEU212C, LEU212D, LYS200C, LYS200D, MET155C, MET155D, PHE206C, PHE206D, PHE211D, PHE61D, PRO196C, PRO196D, PRO199C, PRO199D, PRO217C, PRO63C, PRO63D, SER144C, SER144D, SER151C, SER151D, SER209C, SER209D, SER213C, SER213D, THR100C, THR100D, THR141C, THR141D, THR149C, THR149D, THR154C, THR154D, THR201C, THR201D, THR39D, THR44C, THR44D, TRP143C, TRP143D, TRP210C, TRP210D, TYR142C, TYR142D, TYR66C, TYR66D, VAL101C, VAL101D, VAL139C, VAL139D, VAL146C, VAL146D, VAL204C, VAL204D, VAL208C, VAL208D, VAL65C, VAL65D, VAL70D
• B-D: ALA189B, ALA191B, ALA193B, ALA97B, ALA97D, ARG72D, ARG73D, ASP195B, ASP197B, ASP197D, GLU180B, GLU187B, GLY188B, GLY95D, GLY98B, HIS183B, ILE198B, LEU184B, LEU186B, LEU55B, LEU57B, LEU93D, LYS200B, LYS59B, LYS59D, PHE192B, PRO185B, PRO199B, PRO94D, SER54B, SER96D, TYR66D, VAL101B, VAL181B, VAL182B, VAL204B, VAL70D, VAL99B, VAL99D