2OTD

the crystal structure of the glycerophosphodiester phosphodiesterase from shigella flexneri 2a

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 58
  • Norm. En. per Res.: -3.3221
• 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	-11.2592	-8.8557	-76.4331	-96.548	67	3	1	4313	1	9	19
A-D	-31.2071	-33.7563	-127.721	-192.6845	58	7	7	5668	2	18	26
C-D	-39.4027	-19.471	-64.1408	-123.0144	59	3	1	3359	1	9	18

Interface residues

• A-B: ALA132A, ALA132B, ALA138A, ALA155A, ALA155B, ALA156B, ALA159A, ALA159B, ALA160A, ALA160B, ARG134A, ARG134B, ASN72A, ASN72B, ASP151A, ASP151B, ASP47A, ASP47B, GLN135A, GLN135B, GLN157B, GLN158A, GLN158B, GLU162A, GLU49A, GLU49B, GLU70B, GLY120A, GLY120B, GLY122A, GLY122B, GLY48A, GLY48B, ILE50A, ILE50B, LEU124A, LEU124B, LEU131A, LEU131B, LEU136A, LEU136B, LEU44A, LEU44B, LEU96A, LEU96B, LEU97A, LYS127A, LYS127B, LYS46A, LYS46B, PRO123A, PRO123B, PRO161A, PRO161B, SER45A, SER45B, SER98A, THR118A, THR119A, THR119B, THR121A, THR121B, THR125A, THR125B, TRP73A, VAL129A, VAL129B
• A-D: ALA19A, ALA19D, ALA236A, ALA236D, ALA25A, ALA25D, ALA26A, ALA26D, ALA31A, ALA31D, ALA88A, ALA88D, ASP238A, ASP238D, ASP28A, ASP28D, GLU92A, GLU92D, GLY15A, GLY15D, GLY30A, GLY30D, GLY34A, GLY34D, GLY82A, GLY82D, GLY91A, GLY91D, ILE237A, ILE237D, LEU18A, LEU18D, LYS17A, LYS17D, LYS32A, LYS32D, LYS87A, LYS87D, LYS90A, LYS90D, PHE89A, PHE89D, PRO20A, PRO20D, PRO93A, PRO93D, SER83A, SER83D, SER86A, SER86D, TYR33A, TYR33D, TYR85A, TYR85D, VAL239A, VAL239D, VAL29A, VAL29D
• C-D: ALA132C, ALA132D, ALA155C, ALA155D, ALA159C, ALA159D, ALA160D, ARG134C, ARG134D, ASN72C, ASN72D, ASP151C, ASP151D, ASP47C, ASP47D, GLN135C, GLN135D, GLN158C, GLN158D, GLU49C, GLU49D, GLY120C, GLY120D, GLY122C, GLY122D, GLY48C, GLY48D, ILE50C, ILE50D, LEU124C, LEU124D, LEU131C, LEU131D, LEU136C, LEU136D, LEU44C, LEU44D, LEU96C, LEU96D, LEU97C, LEU97D, LYS127C, LYS127D, LYS46C, LYS46D, PRO123C, PRO123D, PRO161D, SER45C, SER45D, THR118C, THR119C, THR119D, THR121C, THR121D, THR125C, THR125D, TRP73C, TRP73D