1SZZ

crystal structure of peptide deformylase from leptospira interrogans complexed with inhibitor actinonin

• Total interactions analyzed: 28
• Total true interactions: 5
• Strongest Interaction:
  • Chains: D-H
  • Int. Res.: 84
  • Norm. En. per Res.: -2.6757
• Hub Node: D(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	-35.0309	15.3177	-183.553	-203.2662	81	6	0	8064	0	20	21
B-E	-34.059	15.6192	-184.943	-203.3828	81	6	0	7988	0	20	21
D-F	0.0	0.0	-0.0427	-0.0427	3	0	0	8	0	3	4
D-H	-46.2477	15.9593	-194.467	-224.7553	84	8	0	8363	0	20	21
F-G	-38.7498	15.6657	-174.376	-197.4601	83	4	0	7821	0	20	20

Interface residues

• A-C: ARG108A, ARG108C, ARG14A, ARG14C, ARG156A, ARG156C, ARG7A, ARG7C, ASN166A, ASN166C, ASP10A, ASP10C, ASP155A, ASP155C, ASP159A, ASP159C, ASP170A, ASP170C, CYS101A, CYS101C, GLN149C, GLU167A, GLU167C, GLY106A, GLY106C, GLY150A, GLY150C, GLY164A, GLY164C, GLY9A, GLY9C, ILE151A, ILE151C, ILE5A, ILE5C, LEU102A, LEU102C, LEU13A, LEU13C, LEU152A, LEU152C, LEU157A, LEU157C, LEU162A, LEU162C, LEU169A, LEU169C, LEU6A, LEU6C, LYS161A, LYS161C, LYS4A, LYS4C, MET107A, MET107C, MET8A, MET8C, PHE163A, PHE163C, PHE165A, PHE165C, PRO105A, PRO105C, PRO11A, PRO11C, SER103A, SER103C, SER171A, SER171C, THR160A, THR160C, THR168A, THR168C, TRP98A, TRP98C, TYR153A, TYR153C, VAL104A, VAL104C, VAL154A, VAL154C
• B-E: ARG108B, ARG108E, ARG14B, ARG14E, ARG156B, ARG156E, ARG7B, ARG7E, ASN166B, ASN166E, ASP10B, ASP10E, ASP155B, ASP155E, ASP159B, ASP159E, ASP170B, ASP170E, CYS101B, CYS101E, GLN149E, GLU167B, GLU167E, GLY106B, GLY106E, GLY150B, GLY150E, GLY164B, GLY164E, GLY9B, GLY9E, ILE151B, ILE151E, ILE5B, ILE5E, LEU102B, LEU102E, LEU13B, LEU13E, LEU152B, LEU152E, LEU157B, LEU157E, LEU162B, LEU162E, LEU169B, LEU169E, LEU6B, LEU6E, LYS161B, LYS161E, LYS4B, LYS4E, MET107B, MET107E, MET8B, MET8E, PHE163B, PHE163E, PHE165B, PHE165E, PRO105B, PRO105E, PRO11B, PRO11E, SER103B, SER103E, SER171B, SER171E, THR160B, THR160E, THR168B, THR168E, TRP98B, TRP98E, TYR153B, TYR153E, VAL104B, VAL104E, VAL154B, VAL154E
• D-F: ASP93D, LYS28F, THR91D
• D-H: ARG108D, ARG108H, ARG14D, ARG14H, ARG156D, ARG156H, ARG7D, ARG7H, ASN166D, ASN166H, ASP10D, ASP10H, ASP155D, ASP155H, ASP159D, ASP159H, ASP170D, ASP170H, CYS101D, CYS101H, GLN149D, GLN149H, GLU167D, GLU167H, GLY106D, GLY106H, GLY109D, GLY109H, GLY150D, GLY150H, GLY164D, GLY164H, GLY9D, GLY9H, ILE151D, ILE151H, ILE5D, ILE5H, LEU102D, LEU102H, LEU13D, LEU13H, LEU152D, LEU152H, LEU157D, LEU157H, LEU162D, LEU162H, LEU169D, LEU169H, LEU6D, LEU6H, LYS161D, LYS161H, LYS4D, LYS4H, MET107D, MET107H, MET8D, MET8H, PHE163D, PHE163H, PHE165D, PHE165H, PRO105D, PRO105H, PRO11D, PRO11H, SER103D, SER103H, SER171D, SER171H, THR160D, THR160H, THR168D, THR168H, TRP98D, TRP98H, TYR153D, TYR153H, VAL104D, VAL104H, VAL154D, VAL154H
• F-G: ARG108F, ARG108G, ARG14F, ARG14G, ARG156F, ARG156G, ARG7F, ARG7G, ASN166F, ASN166G, ASP10F, ASP10G, ASP155F, ASP155G, ASP159F, ASP159G, ASP170F, ASP170G, CYS101F, CYS101G, GLN149G, GLU167F, GLU167G, GLY106F, GLY106G, GLY109G, GLY150F, GLY150G, GLY164F, GLY164G, GLY9F, GLY9G, ILE12G, ILE151F, ILE151G, ILE5F, ILE5G, LEU102F, LEU102G, LEU13F, LEU13G, LEU152F, LEU152G, LEU157F, LEU157G, LEU162F, LEU162G, LEU169F, LEU169G, LEU6F, LEU6G, LYS161F, LYS161G, LYS4F, LYS4G, MET107F, MET107G, MET8F, MET8G, PHE163F, PHE163G, PHE165F, PHE165G, PRO105F, PRO105G, PRO11F, PRO11G, SER103F, SER103G, SER171F, SER171G, THR160F, THR160G, THR168F, THR168G, TRP98F, TRP98G, TYR153F, TYR153G, VAL104F, VAL104G, VAL154F, VAL154G