3MBQ

crystal structure of deoxyuridine 5-triphosphate nucleotidohydrolase from brucella melitensis, orthorhombic crystal form

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 120
  • Norm. En. per Res.: -5.1504
• 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	-123.2495	-49.4475	-445.35	-618.047	120	15	16	16517	7	16	22
A-C	-116.4952	-42.3203	-517.6	-676.4155	137	18	18	18688	7	18	20
B-C	-123.1893	-67.6271	-455.17	-645.9863	137	16	19	16996	10	15	20

Interface residues

• A-B: ALA125B, ALA128A, ALA128B, ALA139A, ALA26B, ALA30B, ALA33B, ALA80B, ALA8B, ARG138A, ARG15B, ARG53A, ARG54A, ARG74A, ARG74B, ARG76B, ARG99B, ASN108A, ASN108B, ASN83B, ASN89A, ASN89B, ASP111B, ASP112B, ASP95A, ASP97A, CYS87A, CYS87B, GLN124B, GLN132A, GLN67A, GLN72A, GLN72B, GLU136A, GLU137A, GLU28B, GLU64B, GLU70A, GLU70B, GLY100B, GLY110B, GLY12B, GLY31B, GLY34B, GLY52A, GLY68A, GLY68B, GLY78B, GLY84B, GLY92A, GLY92B, ILE107A, ILE107B, ILE131A, ILE135A, ILE13B, ILE141A, ILE14B, ILE62B, ILE65A, ILE65B, ILE73A, ILE73B, ILE85B, ILE94A, LEU105A, LEU106A, LEU109A, LEU109B, LEU11B, LEU16B, LEU24B, LEU56A, LEU61B, LEU63B, LEU79B, LEU88A, LEU88B, LYS103A, LYS134A, LYS140A, LYS20B, LYS82B, MET35B, PHE127B, PHE81B, PRO129A, PRO129B, PRO133A, PRO25B, PRO66A, PRO66B, PRO75A, PRO75B, PRO91A, PRO91B, PRO9B, SER142A, SER32B, SER77B, SER96A, THR10B, THR29B, THR55A, THR86A, THR86B, THR90A, THR90B, THR93A, TYR27B, TYR69A, TYR69B, TYR98A, TYR98B, VAL126A, VAL126B, VAL130A, VAL130B, VAL71A, VAL71B
• A-C: ALA125A, ALA128A, ALA128C, ALA139C, ALA148C, ALA26A, ALA30A, ALA33A, ALA80A, ALA8A, ARG138C, ARG15A, ARG53C, ARG54C, ARG74A, ARG74C, ARG76A, ARG99A, ASN108A, ASN108C, ASN83A, ASN89A, ASN89C, ASP111A, ASP112A, ASP95A, ASP95C, ASP97A, ASP97C, CYS87A, CYS87C, GLN124A, GLN132C, GLN67C, GLN72A, GLN72C, GLU101A, GLU136C, GLU137C, GLU28A, GLU64A, GLU70A, GLU70C, GLY100A, GLY110A, GLY12A, GLY147C, GLY149C, GLY150C, GLY31A, GLY34A, GLY52C, GLY68A, GLY68C, GLY78A, GLY84A, GLY92A, GLY92C, ILE107A, ILE107C, ILE131C, ILE135C, ILE13A, ILE141C, ILE14A, ILE62A, ILE65A, ILE65C, ILE73A, ILE73C, ILE85A, ILE94A, ILE94C, LEU105A, LEU105C, LEU106C, LEU109A, LEU109C, LEU11A, LEU16A, LEU24A, LEU56A, LEU56C, LEU61A, LEU63A, LEU79A, LEU88A, LEU88C, LYS103A, LYS103C, LYS134C, LYS140C, LYS82A, MET35A, PHE127A, PHE151C, PHE81A, PRO129A, PRO129C, PRO133C, PRO25A, PRO66A, PRO66C, PRO75A, PRO75C, PRO91A, PRO91C, PRO9A, SER32A, SER77A, SER96A, SER96C, THR10A, THR29A, THR55C, THR86A, THR86C, THR90A, THR90C, THR93A, THR93C, TYR27A, TYR69A, TYR69C, TYR98A, TYR98C, VAL102A, VAL104A, VAL104C, VAL126A, VAL126C, VAL130A, VAL130C, VAL57A, VAL57C, VAL71A, VAL71C
• B-C: ALA125C, ALA128B, ALA128C, ALA139B, ALA148C, ALA26C, ALA30C, ALA33B, ALA33C, ALA80B, ALA80C, ALA8C, ARG138B, ARG15C, ARG53B, ARG54B, ARG74B, ARG74C, ARG76B, ARG76C, ARG99B, ARG99C, ASN108B, ASN108C, ASN83C, ASN89B, ASN89C, ASP111C, ASP112C, ASP36B, ASP95B, ASP97B, CYS87B, CYS87C, GLN124B, GLN124C, GLN132B, GLN67B, GLN72B, GLN72C, GLU136B, GLU137B, GLU28B, GLU28C, GLU64C, GLU70B, GLU70C, GLY110C, GLY12C, GLY147C, GLY149C, GLY150C, GLY31B, GLY31C, GLY34B, GLY34C, GLY52B, GLY68B, GLY68C, GLY78B, GLY78C, GLY84C, GLY92B, GLY92C, ILE107B, ILE107C, ILE131B, ILE135B, ILE13C, ILE14C, ILE62C, ILE65B, ILE65C, ILE73B, ILE73C, ILE85C, ILE94B, LEU105B, LEU106B, LEU109B, LEU109C, LEU11C, LEU22C, LEU24C, LEU56B, LEU61C, LEU63C, LEU79B, LEU79C, LEU88B, LEU88C, LYS103B, LYS134B, LYS20C, LYS82B, LYS82C, MET35C, PHE127C, PHE151C, PHE81B, PHE81C, PRO129B, PRO129C, PRO133B, PRO25C, PRO66B, PRO66C, PRO75B, PRO75C, PRO91B, PRO91C, PRO9C, SER32B, SER32C, SER77B, SER77C, SER96B, THR10C, THR29B, THR29C, THR55B, THR86B, THR86C, THR90B, THR90C, THR93B, TYR27C, TYR69B, TYR69C, TYR98B, VAL126B, VAL126C, VAL130B, VAL130C, VAL57B, VAL71B, VAL71C