3R3U

crystal structure of the fluoroacetate dehalogenase rpa1163 - wt/apo

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 107
  • Norm. En. per Res.: -3.5825
• Hub Node: B(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	-23.4021	0.0	-350.389	-373.7911	109	8	15	13576	0	11	20
B-C	-22.7961	15.8168	-66.7814	-73.7607	62	1	1	3421	0	11	12
B-D	-23.9447	-43.8969	-89.5838	-157.4253	50	3	0	3406	3	31	27
C-D	-24.2879	0.0	-359.037	-383.3249	107	4	14	13619	1	12	20

Interface residues

• A-B: ALA148A, ALA148B, ALA150A, ALA150B, ALA160A, ALA160B, ALA163A, ALA163B, ALA180A, ALA180B, ALA221A, ALA221B, ALA223A, ALA223B, ALA225A, ALA225B, ARG144A, ARG144B, ARG147A, ARG147B, ARG212A, ARG212B, ARG220A, ARG220B, ASN146A, ASN146B, ASN168A, ASN168B, ASP173A, ASP173B, ASP226A, GLN143A, GLN143B, GLN161A, GLN161B, GLU167A, GLU167B, GLU228A, GLU228B, GLY171A, GLY171B, GLY172A, GLY172B, GLY222A, GLY222B, HIS155A, HIS155B, ILE153A, ILE153B, LEU151A, LEU151B, LEU159A, LEU159B, LEU165A, LEU165B, LEU169A, LEU169B, LEU170A, LEU170B, LYS152A, LYS152B, LYS181A, LYS181B, LYS231A, LYS231B, MET145A, MET145B, PHE158A, PHE158B, PHE176A, PHE176B, PHE206A, PHE206B, PHE227A, PHE227B, PRO162A, PRO162B, PRO164A, PRO164B, PRO166A, PRO166B, PRO174A, PRO174B, SER157A, SER157B, SER184A, SER184B, THR138A, THR138B, TRP142A, TRP142B, TRP156A, TRP156B, TYR139A, TYR139B, TYR141A, TYR141B, TYR149A, TYR149B, TYR154A, TYR154B, TYR177A, TYR177B, TYR219A, TYR219B, TYR224A, TYR224B, VAL178A, VAL178B
• B-C: ALA148C, ALA183C, ALA188C, ALA246B, ALA250C, ALA257C, ALA258C, ALA274B, ALA293B, ALA300B, ALA301B, ARG144C, ARG147C, ARG187C, ARG265B, ARG296B, ARG57B, ASN146C, ASP190C, ASP262B, ASP270B, ASP30B, GLN255C, GLN272B, GLN289B, GLN289C, GLU277B, GLU277C, GLU285C, GLU292B, GLU56B, GLY189C, GLY249C, GLY252C, GLY273B, GLY279C, GLY31B, HIS280C, ILE253C, ILE276B, ILE276C, LEU151C, LEU245B, LEU247B, LEU261B, LYS129B, LYS152C, PHE297B, PRO243B, PRO275B, PRO275C, PRO32B, SER184C, SER251C, SER256C, SER278C, SER299B, THR186C, TRP185C, TRP248B, TYR149C, VAL271B
• B-D: ALA160D, ALA163D, ALA221D, ALA223D, ALA225D, ALA51B, ALA55B, ARG220D, ARG49B, ARG57B, ARG86D, ASP226D, ASP230D, ASP30B, ASP77D, GLN161D, GLN79D, GLU228D, GLU292B, GLU56B, GLU78D, GLY10B, GLY28B, GLY29B, GLY31B, HIS101B, HIS229D, HIS80D, ILE232D, LEU54B, LYS231D, LYS53B, LYS59B, PHE11B, PHE227D, PHE58B, PHE8B, PRO162D, PRO32B, PRO33B, PRO52B, PRO9B, SER299B, THR81D, THR84D, TYR224D, VAL27B, VAL295B, VAL50B, VAL60B
• C-D: ALA148C, ALA148D, ALA150C, ALA150D, ALA160C, ALA160D, ALA163C, ALA163D, ALA180C, ALA180D, ALA221C, ALA221D, ALA223C, ALA223D, ALA225C, ALA225D, ARG144C, ARG144D, ARG147C, ARG147D, ARG212C, ARG212D, ARG220C, ARG220D, ASN146C, ASN146D, ASN168C, ASN168D, ASP173C, ASP173D, GLN143C, GLN143D, GLN161C, GLN161D, GLU167C, GLU167D, GLU228C, GLU228D, GLY171C, GLY171D, GLY172C, GLY172D, GLY222C, GLY222D, HIS155C, HIS155D, ILE153C, ILE153D, LEU151C, LEU151D, LEU159C, LEU159D, LEU165C, LEU165D, LEU169C, LEU169D, LEU170C, LEU170D, LYS152C, LYS152D, LYS181C, LYS181D, LYS231C, LYS231D, MET145C, MET145D, PHE158C, PHE158D, PHE176C, PHE176D, PHE206C, PHE206D, PHE227C, PHE227D, PRO162C, PRO162D, PRO164C, PRO164D, PRO166C, PRO166D, PRO174C, PRO174D, SER157C, SER157D, SER184C, SER184D, THR138C, THR138D, TRP142C, TRP142D, TRP156C, TRP156D, TYR139C, TYR139D, TYR141C, TYR141D, TYR149C, TYR149D, TYR154C, TYR154D, TYR177C, TYR177D, TYR219C, TYR219D, TYR224C, TYR224D, VAL178D