3KMT

crystal structure of vset/sah/h3 ternary complex

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: C-I
  • Int. Res.: 52
  • Norm. En. per Res.: -4.4335
• Hub Node: A(4)

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	-61.5914	0.0	-244.224	-305.8154	96	9	15	10847	0	14	21
A-C	0.0	-27.1905	-16.7933	-43.9838	28	0	0	1117	1	12	15
A-G	-28.2999	-29.5303	-161.229	-219.0592	52	7	4	5812	2	6	7
A-H	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
B-G	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
B-H	-39.5862	-28.9757	-162.155	-230.7169	54	6	4	5710	2	6	7
C-I	-33.3562	-29.2225	-167.962	-230.5406	52	4	4	5838	2	6	7

Interface residues

• A-B: ALA46A, ALA46B, ALA59A, ALA59B, ALA61A, ALA61B, ALA66A, ALA66B, ARG21A, ARG21B, ARG38A, ARG38B, ARG5A, ARG5B, ARG86A, ARG86B, ASN3A, ASN3B, ASN40A, ASN40B, ASP41A, ASP41B, ASP42A, ASP42B, ASP49A, ASP49B, ASP4A, ASP4B, CYS33A, CYS33B, CYS35A, CYS35B, GLU31A, GLU31B, GLU32A, GLU32B, GLU48A, GLU48B, GLY17A, GLY17B, GLY44A, GLY44B, GLY63A, GLY63B, GLY65A, GLY65B, HIS39A, HIS39B, ILE36A, ILE36B, ILE67A, ILE67B, LEU29A, LEU29B, LEU34A, LEU34B, LEU47A, LEU47B, LEU51A, LEU51B, LEU62A, LEU62B, LYS10B, LYS85A, LYS85B, LYS9A, LYS9B, MET1A, MET1B, MET60A, MET60B, MET87A, MET87B, PHE2A, PHE2B, PHE64A, PHE64B, PHE68A, PHE68B, SER58A, SER58B, THR45A, THR45B, TRP43A, TRP43B, TYR16A, TYR16B, TYR50A, TYR50B, VAL18A, VAL18B, VAL37A, VAL37B, VAL6B, VAL8A, VAL8B
• A-C: ALA20C, ARG21C, ASN119A, ASN75A, ASP73A, GLN118A, GLU100A, GLU99A, GLY98C, HIS70A, ILE7C, ILE97C, LEU13A, LYS10C, LYS72A, LYS93A, LYS9C, MET1C, PHE2C, PRO12A, PRO12C, PRO74A, PRO94A, SER11C, SER71A, THR117A, TYR16C, VAL8C
• A-G: ALA25G, ALA29G, ALA31G, ALA46A, ALA59A, ALA82A, ARG113A, ARG26G, ARG38A, ARG54A, ARG77A, ARG86A, ARG88A, ASN40A, ASN56A, ASP107A, ASP108A, ASP41A, ASP42A, ASP49A, GLU48A, GLU79A, GLY106A, GLY44A, HIS39A, HIS78A, ILE103A, ILE89A, LEU111A, LEU47A, LEU51A, LEU80A, LEU84A, LYS55A, MET57A, MET87A, PHE52A, PHE90A, PRO30G, SER104A, SER112A, SER28G, SER53A, SER58A, THR32G, THR45A, THR81A, TRP110A, TRP43A, TYR105A, TYR109A, TYR50A
• A-H: ALA46A, ARG26H
• B-G: ALA46B, ARG26G
• B-H: ALA25H, ALA29H, ALA31H, ALA46B, ALA59B, ALA82B, ARG113B, ARG26H, ARG38B, ARG54B, ARG77B, ARG86B, ARG88B, ASN40B, ASN56B, ASP107B, ASP108B, ASP41B, ASP42B, ASP49B, CYS35B, GLU48B, GLU79B, GLY106B, GLY44B, HIS39B, HIS70B, HIS78B, ILE103B, ILE89B, LEU111B, LEU47B, LEU51B, LEU80B, LEU84B, LYS55B, MET57B, MET87B, PHE52B, PHE90B, PRO30H, SER104B, SER112B, SER28H, SER53B, SER58B, THR32H, THR45B, THR81B, TRP110B, TRP43B, TYR105B, TYR109B, TYR50B
• C-I: ALA25I, ALA29I, ALA31I, ALA46C, ALA59C, ALA82C, ARG113C, ARG26I, ARG38C, ARG54C, ARG77C, ARG86C, ARG88C, ASN40C, ASN56C, ASP107C, ASP108C, ASP41C, ASP42C, ASP49C, GLU48C, GLU79C, GLY106C, GLY44C, HIS39C, HIS78C, ILE103C, ILE89C, LEU111C, LEU47C, LEU51C, LEU80C, LEU84C, LYS55C, MET57C, MET87C, PHE52C, PHE90C, PRO30I, SER104C, SER112C, SER28I, SER53C, SER58C, THR32I, THR45C, THR81C, TRP110C, TRP43C, TYR105C, TYR109C, TYR50C