3PGV

crystal structure of a haloacid dehalogenase-like hydrolase (kpn_04322) from klebsiella pneumoniae subsp. pneumoniae mgh 78578 at 2.39 a resolution

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 42
  • Norm. En. per Res.: -2.7878
• 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	-8.7902	-4.9986	-103.298	-117.0868	42	3	3	3666	0	15	23
A-C	-40.6346	-44.2845	-153.461	-238.3801	87	5	1	6262	11	53	50
A-D	0.0	-7.3331	-19.1165	-26.4496	31	0	0	1063	0	9	14
B-C	0.0	0.0	-0.0573	-0.0573	4	0	0	26	0	0	0
B-D	-41.4613	-9.7642	-115.27	-166.4955	77	5	0	5105	2	34	38

Interface residues

• A-B: ALA127A, ALA163B, ALA166B, ALA89B, ARG167B, ARG96B, ASN130A, ASN165B, ASN97B, ASP86B, ASP90B, ASP98B, GLN162B, GLN51A, GLU110A, GLU126A, GLU135B, GLU138B, GLU93B, GLY137B, GLY169B, HIS116A, ILE87B, ILE94B, LEU133A, LEU160B, LEU91B, LYS125A, LYS132A, PHE123A, PHE124A, PHE129A, PHE92B, PRO136B, PRO159B, PRO99B, TRP111A, TRP168B, TYR112A, TYR131A, VAL128A, VAL95B
• A-C: ALA232A, ALA232C, ALA234A, ALA234C, ALA252A, ALA252C, ALA255A, ALA255C, ARG237A, ARG237C, ARG258A, ARG258C, ARG261A, ARG261C, ARG44C, ASN233A, ASN233C, ASN251A, ASN251C, ASP10A, ASP10C, ASP153A, ASP153C, ASP17A, ASP17C, ASP214A, ASP214C, ASP253A, ASP253C, ASP254A, ASP254C, CYS151A, CYS151C, GLN236A, GLN236C, GLU152A, GLU152C, GLU155A, GLU155C, GLY11A, GLY11C, GLY215A, GLY215C, GLY249A, GLY249C, HIS154A, HIS154C, HIS18A, HIS18C, HIS235A, HIS235C, ILE248A, ILE248C, LEU158A, LEU158C, LEU179A, LEU179C, LEU20C, LEU238A, LEU238C, LYS239A, LYS239C, LYS25A, LYS25C, PHE19A, PHE19C, PRO118C, PRO16A, PRO16C, PRO22A, PRO22C, SER15A, SER15C, SER177A, SER177C, SER250A, SER250C, THR178A, THR178C, THR180A, THR180C, THR21A, THR21C, TYR23A, TYR23C, VAL247A, VAL247C
• A-D: ALA33A, ALA33D, ARG34D, ARG59A, ARG59D, ASN37D, ASP54A, ASP72A, ASP74A, ASP74D, GLN3D, GLN76A, GLY203D, GLY35D, GLY57A, GLY57D, GLY75A, ILE36D, ILE58A, ILE58D, LEU202D, LEU31D, LYS125A, LYS200D, LYS29A, LYS29D, SER73A, SER73D, THR32A, THR32D, TYR204D
• B-C: GLU155B, LEU158B, PRO159B, VAL128C
• B-D: ALA186B, ALA186D, ALA197B, ALA197D, ALA199B, ALA199D, ALA80B, ALA80D, ALA88B, ALA88D, ARG171B, ARG171D, ARG69B, ARG69D, ARG85B, ARG85D, ASN82B, ASN82D, ASP170B, ASP170D, ASP72B, ASP72D, ASP74B, ASP74D, ASP84B, ASP84D, ASP86B, ASP86D, GLN142B, GLN142D, GLN76B, GLN76D, GLN77B, GLN77D, GLU108B, GLU108D, GLU196B, GLU196D, GLY143B, GLY143D, GLY169B, GLY169D, GLY187B, GLY187D, GLY203B, GLY203D, GLY75B, GLY75D, HIS71B, HIS71D, HIS81B, HIS81D, ILE78B, ILE78D, ILE87B, ILE87D, LEU202B, LEU202D, LEU83B, LEU83D, LYS200B, LYS200D, PHE79B, PHE79D, PRO141B, PRO141D, THR205B, TRP168B, TRP168D, TYR61B, TYR61D, VAL189B, VAL189D, VAL198B, VAL198D, VAL70B, VAL70D