3M20

crystal structure of dmpi from archaeoglobus fulgidus determined to 2.37 angstroms resolution

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 58
  • Norm. En. per Res.: -4.958
• 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	-89.3898	-27.4951	-170.681	-287.5659	58	24	5	7028	2	13	14
A-C	-62.952	-13.0059	-170.725	-246.6829	57	10	4	6769	1	15	17
B-C	-35.0565	-19.193	-133.066	-187.3155	58	21	3	5782	2	14	14

Interface residues

• A-B: ALA27A, ALA36A, ALA46B, ALA57B, ARG16A, ARG21A, ARG34A, ASN48B, ASP11A, ASP33A, ASP58B, GLU17A, GLU20A, GLU43A, GLU43B, GLU47B, GLY13A, GLY50B, GLY52B, GLY53B, GLY7A, GLY7B, HIS42A, HIS42B, ILE37A, ILE39A, ILE41A, ILE4A, ILE4B, ILE56B, LEU10A, LEU22A, LEU3A, LEU40A, LEU55B, LYS14A, LYS15A, LYS54B, LYS9A, PHE18A, PRO1A, PRO44A, PRO44B, PRO45B, PRO8B, SER24A, SER35A, THR23A, THR38A, TYR6A, TYR6B, VAL12A, VAL19A, VAL2A, VAL49B, VAL51B, VAL5A, VAL5B
• A-C: ALA27C, ALA36C, ALA46A, ALA57A, ARG16C, ARG21C, ARG34C, ARG59A, ASN48A, ASP11C, ASP33C, ASP58A, GLU17C, GLU20C, GLU43A, GLU43C, GLU47A, GLY13C, GLY50A, GLY52A, GLY53A, GLY7A, HIS42A, HIS42C, ILE37C, ILE39C, ILE41C, ILE4A, ILE4C, ILE56A, LEU10C, LEU22C, LEU3C, LEU40C, LEU55A, LYS14C, LYS15C, LYS54A, LYS9C, PHE18C, PRO44A, PRO44C, PRO45A, PRO8C, SER24C, SER35C, THR23C, THR38C, TYR6A, TYR6C, VAL12C, VAL19C, VAL2C, VAL49A, VAL51A, VAL5A, VAL5C
• B-C: ALA26B, ALA27B, ALA36B, ALA46C, ALA57C, ARG16B, ARG21B, ARG34B, ASN48C, ASP11B, ASP33B, ASP58C, GLU17B, GLU20B, GLU43B, GLU43C, GLU47C, GLY13B, GLY50C, GLY52C, GLY53C, GLY7B, GLY7C, HIS42B, HIS42C, ILE37B, ILE39B, ILE41B, ILE41C, ILE4B, ILE4C, ILE56C, LEU10B, LEU22B, LEU3B, LEU40B, LEU55C, LYS15B, LYS54C, LYS9B, PHE18B, PRO44B, PRO44C, PRO45C, PRO8B, SER24B, SER35B, THR23B, THR38B, TYR6B, TYR6C, VAL12B, VAL19B, VAL2B, VAL49C, VAL51C, VAL5B, VAL5C