1ZOI

crystal structure of a stereoselective esterase from pseudomonas putida ifo12996

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 94
  • Norm. En. per Res.: -3.0326
• 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	-25.9924	-51.3984	-198.72	-276.1108	93	6	5	8255	2	27	22
A-C	-23.4467	-53.5289	-200.673	-277.6485	94	4	5	8300	1	30	21
B-C	-31.3978	-53.544	-200.125	-285.0668	94	7	6	8391	1	28	22

Interface residues

• A-B: ALA148A, ALA151A, ALA155A, ALA176B, ALA193A, ALA195A, ALA22B, ALA263B, ALA35B, ALA40B, ALA47B, ARG154A, ARG159A, ARG159B, ARG186A, ARG186B, ARG20B, ARG51B, ARG62A, ARG62B, ASN153A, ASN183B, ASN267B, ASP160A, ASP16B, ASP198A, ASP21B, ASP264B, ASP36B, ASP37B, ASP39B, ASP68A, GLN11A, GLN147A, GLN149A, GLN156A, GLN187A, GLN187B, GLN41B, GLN65A, GLU175B, GLU178A, GLU178B, GLY179B, GLY182A, GLY182B, GLY188A, GLY18B, GLY191A, GLY59A, GLY61A, HIS196A, HIS70A, ILE180B, ILE181A, ILE181B, ILE190A, ILE190B, LEU42B, LEU43B, LEU46B, LYS15B, LYS194A, MET189A, PHE13B, PHE157A, PHE44B, PRO19B, SER152A, SER177B, SER192A, SER2B, SER63A, SER64A, THR260B, THR261B, TRP17B, TRP184B, TRP185A, TRP185B, TRP38B, TRP67A, TYR14B, TYR158A, TYR167B, TYR169B, TYR197A, TYR3A, TYR3B, TYR50B, VAL150A, VAL52B, VAL66A
• A-C: ALA148C, ALA151C, ALA155C, ALA176A, ALA193C, ALA195C, ALA22A, ALA263A, ALA35A, ALA40A, ALA47A, ARG154C, ARG159A, ARG159C, ARG186A, ARG186C, ARG20A, ARG51A, ARG62A, ARG62C, ASN153C, ASN183A, ASN267A, ASP160C, ASP16A, ASP198C, ASP21A, ASP264A, ASP36A, ASP37A, ASP39A, ASP68C, GLN11C, GLN147C, GLN149C, GLN156C, GLN187A, GLN187C, GLN41A, GLN65C, GLU178A, GLU178C, GLY179A, GLY182A, GLY182C, GLY188C, GLY18A, GLY191C, GLY49A, GLY59C, GLY61C, GLY9C, HIS196C, HIS70C, ILE180A, ILE181A, ILE181C, ILE190A, ILE190C, LEU42A, LEU43A, LEU46A, LYS15A, LYS194C, MET189C, PHE13A, PHE157C, PHE44A, PRO19A, PRO259A, SER152C, SER177A, SER192C, SER2A, SER63C, SER64C, THR260A, THR261A, TRP17A, TRP184A, TRP185A, TRP185C, TRP38A, TRP67C, TYR14A, TYR158C, TYR169A, TYR197C, TYR3A, TYR3C, TYR50A, VAL150C, VAL52A, VAL66C
• B-C: ALA148B, ALA151B, ALA155B, ALA176C, ALA193B, ALA195B, ALA22C, ALA263C, ALA35C, ALA40C, ALA47C, ARG154B, ARG159B, ARG159C, ARG186B, ARG186C, ARG20C, ARG51C, ARG62B, ARG62C, ASN153B, ASN183C, ASN267C, ASP160B, ASP16C, ASP198B, ASP21C, ASP264C, ASP36C, ASP37C, ASP39C, ASP68B, GLN11B, GLN147B, GLN149B, GLN156B, GLN187B, GLN187C, GLN41C, GLN65B, GLU175C, GLU178B, GLU178C, GLY179C, GLY182B, GLY182C, GLY188B, GLY18C, GLY191B, GLY59B, GLY61B, GLY9B, HIS196B, HIS70B, ILE180C, ILE181B, ILE181C, ILE190B, ILE190C, LEU42C, LEU43C, LEU46C, LYS15C, LYS194B, MET189B, PHE13C, PHE157B, PHE44C, PRO19C, PRO259C, SER152B, SER177C, SER192B, SER2C, SER63B, SER64B, THR260C, THR261C, TRP17C, TRP184C, TRP185B, TRP185C, TRP38C, TRP67B, TYR14C, TYR158B, TYR169C, TYR197B, TYR3B, TYR3C, TYR50C, VAL150B, VAL52C, VAL66B