2KYG

structure of the aml1-eto nervy domain - pka(riia) complex and its contribution to aml1-eto activity

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 83
  • Norm. En. per Res.: -3.4885
• 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	0.0	-53.4675	-236.076	-289.5435	83	10	21	11382	1	13	11
A-C	-3.4109	-8.2415	-128.122	-139.7745	48	8	9	5844	0	6	7
B-C	0.0	4.667	-167.034	-162.367	56	6	7	7261	0	12	10

Interface residues

• A-B: ALA32A, ALA32B, ALA42A, ALA42B, ALA44B, ARG22A, ARG22B, ARG38A, ARG38B, ARG40A, ARG40B, ARG43A, ARG43B, ASP27A, ASP27B, GLN14A, GLN14B, GLN23A, GLN23B, GLN24A, GLN24B, GLN4A, GLN4B, GLU11A, GLU11B, GLU19A, GLU30A, GLU30B, GLU34A, GLU34B, GLU41A, GLU41B, GLY-4B, GLY8A, GLY8B, HIS2A, HIS2B, ILE3A, ILE3B, ILE5A, ILE5B, LEU12A, LEU12B, LEU13A, LEU13B, LEU21A, LEU21B, LEU28A, LEU28B, LEU39A, LEU39B, LEU9A, LEU9B, MET-5B, PHE31A, PHE31B, PHE36A, PHE36B, PRO25A, PRO25B, PRO26A, PRO6A, PRO6B, PRO7A, PRO7B, THR10A, THR10B, THR17A, THR17B, THR37A, THR37B, TYR16A, TYR16B, TYR35A, TYR35B, VAL18A, VAL18B, VAL20A, VAL20B, VAL29A, VAL29B, VAL33A, VAL33B
• A-C: ALA597C, ALA600C, ALA608C, ALA615C, ARG22A, ARG606C, ASN602C, GLN14A, GLN23A, GLN24A, GLN4A, GLN607C, GLN613C, GLU11A, GLU19A, GLU591C, GLU592C, GLU598C, GLU599C, GLU603C, GLU611C, GLY15A, HIS2A, ILE3A, ILE593C, ILE5A, LEU12A, LEU13A, LEU21A, LEU612C, LEU9A, LYS595C, LYS596C, LYS605C, LYS614C, MET609C, PRO590C, PRO6A, SER-1A, THR10A, THR17A, THR610C, TRP594C, TYR16A, VAL18A, VAL20A, VAL601C, VAL604C
• B-C: ALA585C, ALA597C, ALA600C, ALA608C, ALA615C, ARG22B, ARG606C, ASN602C, GLN14B, GLN23B, GLN24B, GLN4B, GLN607C, GLN613C, GLU11B, GLU19B, GLU591C, GLU592C, GLU598C, GLU599C, GLU611C, GLY-4B, GLY15B, GLY8B, HIS2B, ILE3B, ILE593C, ILE5B, LEU12B, LEU13B, LEU21B, LEU612C, LEU9B, LYS595C, LYS596C, LYS605C, LYS614C, MET-2B, MET609C, PRO590C, PRO6B, PRO7B, SER-1B, SER-3B, THR10B, THR17B, THR610C, TRP594C, TYR16B, TYR35B, TYR588C, VAL18B, VAL20B, VAL589C, VAL601C, VAL604C