3P9U

crystal structure of tetx2 from bacteroides thetaiotaomicron with substrate analogue

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 32
  • Norm. En. per Res.: -3.2338
• 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-C	-9.0829	-22.5963	-66.661	-98.3402	31	6	0	2408	2	16	12
A-D	0.0	-7.8337	-80.7287	-88.5624	51	13	2	4391	2	25	28
B-D	-16.0397	-22.8117	-64.6316	-103.483	32	4	0	2366	2	17	12

Interface residues

• A-C: ARG137A, ARG137C, ASN155A, ASN155C, GLU143A, GLU143C, GLU154A, GLU154C, GLU159A, LEU151A, LEU151C, LYS138C, LYS156A, LYS156C, LYS173A, LYS173C, LYS176A, LYS176C, PHE153A, PHE153C, PRO144A, PRO157A, PRO157C, SER158A, SER158C, THR150A, THR150C, THR152A, THR152C, VAL140A, VAL140C
• A-D: ALA216A, ALA364D, ALA92A, ASN352D, ASN371D, ASN90A, ASN97A, ASP379A, ASP93A, GLN219A, GLN322D, GLN355D, GLN356D, GLN365D, GLN370D, GLU363D, GLU366D, GLU367D, GLU374D, GLU69D, GLY361D, GLY65D, GLY96A, HIS218A, HIS63D, ILE333D, ILE359D, ILE91A, ILE98A, LEU99A, LYS102A, LYS351D, LYS362D, LYS377A, LYS64D, LYS72D, LYS94A, LYS95A, PHE358D, PHE380A, PHE382A, PRO378A, SER100A, SER217A, SER368D, SER66D, THR101A, THR369D, THR381A, TYR360D, VAL329D
• B-D: ARG137B, ARG137D, ASN155B, ASN155D, GLU143B, GLU143D, GLU154B, GLU154D, GLU159D, LEU151B, LEU151D, LYS138B, LYS138D, LYS156B, LYS156D, LYS173B, LYS173D, LYS176B, LYS176D, PHE153B, PHE153D, PRO144D, PRO157B, PRO157D, SER158B, SER158D, THR150B, THR150D, THR152B, THR152D, VAL140B, VAL140D