3KS6

crystal structure of putative glycerophosphoryl diester phosphodiesterase (17743486) from agrobacterium tumefaciens str. c58 (dupont) at 1.80 a resolution

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 73
  • Norm. En. per Res.: -2.9644
• 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	0.0	0.0	-39.222	-39.222	25	0	5	1525	0	3	5
A-C	-11.6141	-14.7852	-24.87	-51.2693	24	1	0	927	1	8	6
A-D	-48.6421	-17.6347	-150.127	-216.4038	73	6	6	7103	2	4	7
B-C	0.0	-40.1842	-75.9911	-116.1753	50	0	1	2647	3	17	19
B-D	0.0	0.0	-0.1834	-0.1834	9	0	0	33	0	11	6

Interface residues

• A-B: ALA193A, ALA197A, ALA201A, ALA202A, ALA26B, ALA27B, ALA92B, ARG133B, ASP192A, ASP222A, ASP96B, CYS91B, GLN198A, GLN200A, GLU89B, GLY194A, GLY203A, LEU195A, LEU223A, LEU93B, SER97B, THR23B, TYR94B, VAL199A, VAL95B
• A-C: ALA119C, ALA150C, ALA197A, ALA201A, ALA202A, ARG155A, ASP145C, ASP205A, GLN198A, GLN200A, GLU115C, GLU146C, GLY116C, GLY203A, HIS182A, ILE177A, LEU204A, LYS149C, PHE117C, PRO154A, SER180A, THR152A, TRP148C, VAL199A
• A-D: ALA142A, ALA142D, ALA171A, ALA171D, ALA178A, ALA178D, ASP110A, ASP110D, ASP145A, ASP145D, ASP192A, ASP192D, GLN165A, GLN165D, GLN166A, GLN166D, GLU174A, GLU174D, GLY108A, GLY108D, GLY111A, GLY111D, GLY168A, GLY168D, GLY170A, GLY170D, HIS179A, HIS179D, LEU112A, LEU112D, LEU140A, LEU140D, LEU141A, LEU141D, LEU158A, LEU158D, LEU164A, LEU164D, LEU167A, LEU167D, LYS106A, PHE139A, PHE139D, PRO107A, PRO107D, PRO113A, PRO113D, PRO161A, PRO161D, PRO169A, PRO169D, SER138A, SER138D, SER143A, SER143D, SER160A, SER160D, SER162A, SER162D, THR175A, THR175D, TRP157A, TRP157D, TRP209A, TRP209D, VAL109A, VAL109D, VAL159A, VAL159D, VAL163A, VAL163D, VAL172A, VAL172D
• B-C: ALA171C, ALA176C, ALA178C, ALA201C, ALA202C, ALA29B, ARG133B, ARG153B, ARG155C, ARG240B, ARG244B, ARG3B, ASN100B, ASP145C, ASP205B, ASP96B, GLN198C, GLN200B, GLU126B, GLU132B, GLU146C, GLU174C, GLU31B, GLU32B, GLY0B, GLY170C, GLY203C, HIS179C, HIS182C, HIS98B, ILE173C, ILE177C, ILE181C, ILE4B, LEU141C, LEU204C, LEU30B, LYS149C, LYS226B, SER129B, SER180C, SER97B, THR152C, THR175C, THR241B, THR2B, TRP148C, TYR94B, VAL95B, VAL99B
• B-D: ALA41D, ALA69B, GLU115D, GLU88B, GLU89B, LEU68B, LYS72B, THR73B, THR86B