1STX

structure of the k38a mutant of ecorv bound to cognate dna and mn2+

• Total interactions analyzed: 15
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 172
  • Norm. En. per Res.: -4.1267
• Hub Node: A(1)

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	-146.9868	28.0115	-590.824	-709.7993	172	29	23	23442	3	34	50

Interface residues

• A-B: ALA142A, ALA142B, ALA26A, ALA26B, ALA38A, ALA38B, ALA56A, ALA56B, ARG140A, ARG140B, ARG144A, ARG144B, ARG49A, ARG49B, ASN152A, ASN152B, ASN154A, ASN154B, ASN157A, ASN157B, ASN15A, ASN15B, ASN185A, ASN185B, ASN188B, ASN53A, ASN53B, ASN70A, ASN70B, ASN97A, ASN97B, ASP19A, ASP19B, ASP36A, ASP36B, ASP74A, ASP74B, CYS21A, CYS21B, GLN16A, GLN16B, GLN68A, GLN68B, GLN69A, GLN69B, GLU14A, GLU14B, GLU155A, GLU155B, GLU158A, GLU158B, GLU27A, GLU27B, GLU45A, GLU45B, GLU57A, GLU57B, GLU64A, GLU64B, GLU65A, GLU65B, GLY184A, GLY184B, GLY22A, GLY22B, GLY28A, GLY28B, GLY34A, GLY34B, HIS71A, HIS71B, ILE153A, ILE153B, ILE159A, ILE159B, ILE23A, ILE23B, ILE24A, ILE24B, ILE30A, ILE30B, ILE43A, ILE43B, ILE51A, ILE51B, ILE52A, ILE52B, LEU148A, LEU148B, LEU156A, LEU156B, LEU33A, LEU33B, LEU40A, LEU40B, LEU46A, LEU46B, LYS145A, LYS145B, LYS149A, LYS149B, LYS161A, LYS161B, LYS17A, LYS17B, LYS29A, LYS29B, LYS54A, LYS54B, LYS67A, LYS67B, PHE44A, PHE44B, PHE47A, PHE47B, PHE75A, PHE75B, PRO160A, PRO160B, PRO162A, PRO162B, PRO32A, PRO32B, PRO50A, PRO50B, PRO66A, PRO66B, SER146A, SER146B, SER147A, SER147B, SER25A, SER25B, SER35A, SER35B, SER41A, SER41B, SER48A, SER48B, THR143A, THR143B, THR150A, THR150B, THR186A, THR186B, THR187A, THR187B, THR37A, THR37B, THR42A, THR42B, THR94B, THR96B, TYR138A, TYR138B, TYR151A, TYR151B, TYR163A, TYR163B, TYR18A, TYR18B, TYR31A, TYR31B, TYR95A, TYR95B, VAL141B, VAL20A, VAL20B, VAL39A, VAL39B, VAL63A, VAL63B