3ARN

human dutpase in complex with novel uracil derivative

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 123
  • Norm. En. per Res.: -5.3281
• 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	-146.768	-25.6243	-482.965	-655.3573	123	19	19	17259	3	31	21
A-C	-115.9106	-33.6461	-485.587	-635.1437	123	20	19	17393	4	30	22
B-C	-110.1948	-25.8638	-489.672	-625.7305	122	17	18	17209	3	31	22

Interface residues

• A-B: ALA147B, ALA29A, ALA35A, ALA37A, ALA43A, ALA45A, ALA46A, ALA64B, ALA73A, ALA83A, ALA83B, ALA89A, ALA90A, ALA98B, ARG106A, ARG106B, ARG136A, ARG136B, ARG27A, ARG30A, ARG40A, ARG44A, ARG44B, ARG81A, ARG81B, ARG85A, ASN115A, ASN115B, ASP102B, ASP104B, ASP49A, ASP95A, ASP95B, CYS134A, CYS78A, CYS78B, GLN131A, GLN146B, GLN25A, GLN71A, GLU103A, GLU103B, GLU135A, GLU135B, GLU141B, GLU143B, GLU144B, GLU33A, GLU62B, GLY107A, GLY110B, GLY117A, GLY47A, GLY77A, GLY77B, GLY80B, GLY87A, GLY97B, GLY99B, HIS92A, ILE101B, ILE133A, ILE137A, ILE137B, ILE142B, ILE58B, ILE70A, ILE72A, ILE94A, LEU113B, LEU132A, LEU148B, LEU26A, LEU31A, LEU50A, LEU74A, LEU74B, LEU88A, LYS118A, LYS63B, LYS91A, MET24A, MET61A, MET61B, PHE114A, PHE114B, PHE116A, PHE116B, PHE138A, PHE138B, PHE28A, PHE93A, PRO140B, PRO38A, PRO59B, PRO60B, PRO75A, PRO75B, PRO84A, SER42A, SER76A, SER76B, SER86A, THR36A, THR39A, TYR105A, TYR105B, TYR139A, TYR139B, TYR48A, TYR51A, TYR79A, TYR79B, VAL100B, VAL109A, VAL111B, VAL112B, VAL145B, VAL65B, VAL82A, VAL82B, VAL96A, VAL96B
• A-C: ALA147A, ALA29C, ALA35C, ALA37C, ALA43C, ALA45C, ALA46C, ALA64A, ALA73C, ALA83A, ALA83C, ALA89C, ALA90C, ALA98A, ARG106A, ARG106C, ARG136A, ARG136C, ARG27C, ARG30C, ARG40C, ARG44C, ARG81A, ARG81C, ARG85C, ASN115A, ASN115C, ASP102A, ASP104A, ASP49C, ASP95A, ASP95C, CYS134C, CYS78A, CYS78C, GLN131C, GLN146A, GLN25C, GLN71C, GLU103A, GLU103C, GLU135A, GLU135C, GLU141A, GLU143A, GLU144A, GLU33C, GLU62A, GLY107C, GLY110A, GLY117C, GLY47C, GLY77A, GLY77C, GLY80A, GLY87C, GLY97A, GLY99A, HIS92C, ILE101A, ILE133C, ILE137A, ILE137C, ILE142A, ILE58A, ILE70C, ILE72C, ILE94C, LEU113A, LEU132C, LEU148A, LEU26C, LEU31C, LEU50C, LEU74A, LEU74C, LEU88C, LYS118C, LYS63A, LYS91C, MET24C, MET61A, MET61C, PHE114A, PHE114C, PHE116A, PHE116C, PHE138A, PHE138C, PHE28C, PHE93A, PHE93C, PRO140A, PRO38C, PRO59A, PRO60A, PRO75A, PRO75C, PRO84C, SER42C, SER76A, SER76C, SER86C, THR36C, THR39C, TYR105A, TYR105C, TYR139A, TYR139C, TYR48C, TYR51C, TYR79A, TYR79C, VAL100A, VAL109C, VAL111A, VAL112A, VAL145A, VAL65A, VAL82A, VAL82C, VAL96A, VAL96C
• B-C: ALA147C, ALA29B, ALA35B, ALA37B, ALA43B, ALA45B, ALA46B, ALA64C, ALA73B, ALA83B, ALA83C, ALA89B, ALA90B, ALA98C, ARG106B, ARG106C, ARG136B, ARG136C, ARG27B, ARG30B, ARG40B, ARG44B, ARG81B, ARG81C, ARG85B, ASN115B, ASN115C, ASP102C, ASP104C, ASP49B, ASP95B, ASP95C, CYS134B, CYS78B, CYS78C, GLN131B, GLN146C, GLN25B, GLN71B, GLU103B, GLU103C, GLU135B, GLU135C, GLU141C, GLU143C, GLU144C, GLU62C, GLY107B, GLY110C, GLY117B, GLY47B, GLY77B, GLY77C, GLY80C, GLY87B, GLY97C, GLY99C, HIS92B, ILE101C, ILE133B, ILE137B, ILE137C, ILE142C, ILE58C, ILE70B, ILE72B, ILE94B, LEU113C, LEU132B, LEU148C, LEU26B, LEU31B, LEU50B, LEU74B, LEU74C, LEU88B, LYS118B, LYS63C, LYS91B, MET24B, MET61B, MET61C, PHE114B, PHE114C, PHE116B, PHE116C, PHE138B, PHE138C, PHE28B, PHE93B, PHE93C, PRO140C, PRO38B, PRO59C, PRO60C, PRO75B, PRO75C, PRO84B, SER42B, SER76B, SER76C, SER86B, THR36B, THR39B, TYR105B, TYR105C, TYR139B, TYR139C, TYR48B, TYR51B, TYR79B, TYR79C, VAL100C, VAL109B, VAL111C, VAL112C, VAL145C, VAL65C, VAL82B, VAL82C, VAL96B, VAL96C