3P48

structure of the yeast dutpase dut1 in complex with dumpnpp

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 121
  • Norm. En. per Res.: -4.0163
• 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	-126.384	13.2912	-372.875	-485.9678	121	12	23	15565	0	22	20
A-C	-107.0074	2.833	-367.154	-471.3284	122	13	24	15682	2	23	20
B-C	-90.3962	-1.2131	-387.287	-478.8963	121	20	22	16113	2	21	21

Interface residues

• A-B: ALA124A, ALA26B, ALA28B, ALA29B, ALA66A, ALA66B, ALA72B, ALA81A, ARG102B, ARG14B, ARG64A, ARG64B, ARG68B, ARG86A, ARG86B, ASN75B, ASN98A, ASN98B, ASP122A, ASP123A, ASP130A, ASP32B, ASP85A, ASP87A, ASP87B, GLN101A, GLN101B, GLN114B, GLN125A, GLN12B, GLN46A, GLN78A, GLN78B, GLU118A, GLU118B, GLU133A, GLU91B, GLY24B, GLY30B, GLY45A, GLY47A, GLY60A, GLY60B, GLY63A, GLY70B, GLY76B, GLY80A, GLY80B, GLY82A, GLY90B, HIS99A, HIS99B, ILE116A, ILE116B, ILE11B, ILE120A, ILE120B, ILE126A, ILE53B, ILE65A, ILE65B, ILE77B, LEU115B, LEU117B, LEU132A, LEU13B, LEU71B, LEU96A, LEU9B, LYS10B, LYS119A, LYS119B, LYS23B, LYS74B, LYS7B, LYS93A, MET44A, MET44B, MET48A, PHE55B, PHE97A, PHE97B, PRO21B, PRO58B, PRO67A, PRO67B, SER100B, SER131A, SER25B, SER54B, SER69B, THR22B, THR27B, THR56B, THR61A, THR61B, THR79A, THR79B, THR89B, TYR31B, TYR62A, TYR62B, TYR88A, TYR88B, VAL121A, VAL127A, VAL128A, VAL129A, VAL20B, VAL49A, VAL57A, VAL57B, VAL59A, VAL59B, VAL73B, VAL83A, VAL84A, VAL8B, VAL92B, VAL94A, VAL95A
• A-C: ALA124C, ALA26A, ALA28A, ALA29A, ALA43C, ALA66A, ALA66C, ALA72A, ALA81C, ARG102A, ARG14A, ARG64A, ARG64C, ARG68A, ARG86A, ARG86C, ASN75A, ASN98A, ASN98C, ASP122C, ASP123C, ASP130C, ASP85C, ASP87A, ASP87C, CB6.37057-28.90419, CB9.64439-5.65152, GLN101A, GLN101C, GLN114A, GLN125C, GLN12A, GLN46C, GLN78A, GLN78C, GLU118A, GLU118C, GLU133C, GLU91A, GLY24A, GLY30A, GLY45C, GLY47C, GLY60A, GLY60C, GLY63C, GLY70A, GLY76A, GLY80A, GLY80C, GLY82C, GLY90A, HIS99A, HIS99C, ILE116A, ILE11A, ILE120A, ILE120C, ILE126C, ILE53A, ILE65A, ILE65C, ILE77A, LEU115A, LEU117A, LEU132C, LEU13A, LEU71A, LEU96C, LEU9A, LYS10A, LYS119A, LYS119C, LYS23A, LYS74A, LYS7A, LYS7A5, LYS93C, MET44A, MET44C, MET48C, PHE55A, PHE97A, PHE97C, PRO21A, PRO58A, PRO67A, PRO67C, SER100A, SER131C, SER25A, SER54A, SER69A, THR22A, THR27A, THR56A, THR61A, THR61C, THR79A, THR79C, THR89A, TYR31A, TYR62A, TYR62C, TYR88A, TYR88C, VAL121C, VAL127C, VAL128C, VAL129C, VAL20A, VAL57A, VAL57C, VAL59A, VAL59C, VAL73A, VAL83C, VAL84C, VAL8A, VAL92A, VAL94C, VAL95C
• B-C: ALA124B, ALA26C, ALA28C, ALA29C, ALA43B, ALA66B, ALA66C, ALA72C, ALA81B, ARG102C, ARG14C, ARG64B, ARG64C, ARG68C, ARG86B, ARG86C, ASN75C, ASN98B, ASN98C, ASP122B, ASP123B, ASP130B, ASP32C, ASP6C, ASP85B, ASP87B, ASP87C, GLN101C, GLN114C, GLN125B, GLN12C, GLN46B, GLN78B, GLN78C, GLU118B, GLU118C, GLU91C, GLY24C, GLY30C, GLY45B, GLY47B, GLY60B, GLY60C, GLY63B, GLY70C, GLY76C, GLY80B, GLY80C, GLY82B, GLY90C, HIS99B, HIS99C, ILE116B, ILE116C, ILE11C, ILE120B, ILE120C, ILE126B, ILE53C, ILE65B, ILE65C, ILE77C, LEU115C, LEU117C, LEU132B, LEU13C, LEU71C, LEU96B, LEU9C, LYS10C, LYS119B, LYS119C, LYS23C, LYS74C, LYS7B, LYS7C, LYS93B, MET44B, MET44C, MET48B, PHE55C, PHE97B, PHE97C, PRO21C, PRO58C, PRO67C, SER100C, SER131B, SER25C, SER54C, SER69C, THR22C, THR27C, THR56B, THR56C, THR61B, THR61C, THR79B, THR79C, THR89C, TYR31C, TYR62B, TYR62C, TYR88B, TYR88C, VAL121B, VAL127B, VAL128B, VAL129B, VAL20C, VAL57B, VAL57C, VAL59B, VAL59C, VAL73C, VAL83B, VAL84B, VAL8C, VAL92C, VAL94B, VAL95B