2PBL

crystal structure of a putative thioesterase (tm1040_2492) from silicibacter sp. tm1040 at 1.79 a resolution

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 73
  • Norm. En. per Res.: -1.5197
• 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	-21.2654	-20.6979	-68.9739	-110.9372	73	4	0	2957	6	39	35
A-C	-18.0102	35.4119	-85.2096	-67.8079	66	3	2	3030	0	19	23
B-D	-10.0739	28.1386	-84.4748	-66.4101	66	3	1	3070	0	20	23
C-D	-29.0872	24.7201	-50.7077	-55.0748	73	13	0	3186	7	38	37

Interface residues

• A-B: ALA121A, ALA121B, ALA154A, ALA154B, ALA189A, ALA189B, ALA190A, ALA190B, ALA192A, ALA192B, ARG107A, ARG107B, ARG144A, ARG144B, ASN200A, ASN200B, ASP147A, ASP147B, ASP186A, ASP186B, ASP188A, ASP188B, GLN113A, GLN113B, GLN114A, GLN114B, GLN117A, GLN117B, GLU101A, GLU101B, GLU110A, GLU110B, GLU149A, GLU149B, GLU153A, GLU153B, GLU193A, GLU46A, GLU46B, GLY45A, GLY45B, GLY47A, GLY47B, HIS50A, HIS50B, LEU151A, LEU151B, LYS124A, LYS124B, LYS184A, LYS184B, PHE183A, PHE183B, PRO148A, PRO148B, PRO152A, PRO152B, SER109A, SER109B, SER116A, SER116B, THR112A, THR112B, THR120A, THR120B, TYR202A, TYR202B, VAL106A, VAL106B, VAL150A, VAL150B, VAL155A, VAL155B
• A-C: ALA154A, ALA154C, ALA157A, ALA157C, ALA204A, ALA204C, ALA257A, ALA261A, ALA261C, ARG158A, ARG158C, ARG160A, ARG160C, ARG201C, ASN161A, ASN161C, ASP127A, ASP127C, ASP203A, ASP203C, ASP230A, ASP230C, ASP232A, ASP232C, GLU153A, GLU153C, GLY128A, GLY128C, GLY156A, GLY156C, ILE130A, ILE130C, ILE159A, ILE159C, ILE259A, ILE259C, LYS205A, LYS205C, LYS91A, LYS91C, PRO129A, PRO129C, PRO61A, PRO61C, THR207A, THR207C, THR260A, THR260C, THR60A, THR60C, TRP93A, TRP93C, TYR202A, TYR202C, VAL131A, VAL131C, VAL155A, VAL155C, VAL162A, VAL162C, VAL206A, VAL206C, VAL258A, VAL258C, VAL62A, VAL62C
• B-D: ALA154B, ALA154D, ALA157B, ALA157D, ALA204B, ALA204D, ALA257B, ALA261B, ALA261D, ARG158B, ARG158D, ARG160B, ARG160D, ARG201D, ASN161B, ASN161D, ASP127B, ASP127D, ASP203B, ASP203D, ASP230B, ASP230D, ASP232B, ASP232D, GLU153B, GLU153D, GLY128B, GLY128D, GLY156B, GLY156D, ILE130B, ILE130D, ILE159B, ILE159D, ILE259B, ILE259D, LYS205B, LYS205D, LYS91B, LYS91D, PRO129B, PRO129D, PRO61B, PRO61D, THR207B, THR207D, THR260B, THR260D, THR60B, THR60D, TRP93B, TRP93D, TYR202B, TYR202D, VAL131B, VAL131D, VAL155B, VAL155D, VAL162B, VAL162D, VAL206B, VAL206D, VAL258B, VAL258D, VAL62B, VAL62D
• C-D: ALA121C, ALA121D, ALA154C, ALA154D, ALA189C, ALA189D, ALA190C, ALA190D, ALA192C, ALA192D, ARG107C, ARG107D, ARG144C, ARG144D, ASP147C, ASP147D, ASP186C, ASP186D, ASP188C, ASP188D, GLN113C, GLN113D, GLN114C, GLN114D, GLN117C, GLN117D, GLU101C, GLU101D, GLU110C, GLU110D, GLU149C, GLU149D, GLU153C, GLU153D, GLU193C, GLU46C, GLU46D, GLY45C, GLY45D, GLY47C, GLY47D, HIS50C, HIS50D, ILE108C, ILE108D, LEU151C, LEU151D, LYS124C, LYS124D, LYS184C, LYS184D, PHE183C, PHE183D, PRO148C, PRO148D, PRO152C, PRO152D, SER109C, SER109D, SER116C, SER116D, THR112C, THR112D, THR120C, THR120D, TYR202C, TYR202D, VAL106C, VAL106D, VAL150C, VAL150D, VAL155C, VAL155D