2J41

crystal structure of staphylococcus aureus guanylate monophosphate kinase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 21
  • Norm. En. per Res.: -6.1233
• Hub Node: A(3)

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	-89.3418	-24.851	358.629	244.4362	91	16	14	11517	0	37	40
A-C	0.0	0.0	-20.4861	-20.4861	10	1	0	691	0	0	2
A-D	-24.4417	-52.9319	-38.2108	-115.5845	22	2	0	1631	8	19	19
B-C	-28.9821	-65.9408	-33.6655	-128.5883	21	4	0	1610	8	19	20
B-D	0.0	0.0	-20.1146	-20.1146	11	2	0	669	0	0	1
C-D	-78.3821	-6.4044	282.498	197.7115	105	19	20	13711	0	48	45

Interface residues

• A-B: ALA125A, ALA125B, ALA176A, ALA176B, ALA186A, ALA186B, ALA196A, ALA196B, ARG113A, ARG113B, ARG179A, ARG179B, ARG191A, ARG191B, ARG193A, ARG193B, ARG199B, ASN162A, ASN162B, ASN170A, ASN178A, ASN178B, ASP165A, ASP165B, CYS182A, CYS182B, GLN181A, GLN181B, GLU157B, GLU159A, GLU159B, GLU185A, GLU185B, GLU187A, GLU187B, GLU192A, GLU192B, GLU195A, GLU195B, HIS188A, HIS188B, ILE122A, ILE122B, ILE180A, ILE180B, ILE183A, ILE183B, ILE202B, LEU120A, LEU120B, LEU163A, LEU163B, LEU175A, LEU175B, LEU189A, LEU189B, LEU203B, LYS156A, LYS190A, LYS190B, LYS197A, LYS197B, MET160A, MET160B, MET161A, MET161B, MET201B, PHE121A, PHE121B, PHE123A, PHE123B, PRO126A, PRO127A, SER128A, TYR164A, TYR164B, TYR166A, TYR166B, TYR198B, VAL158A, VAL158B, VAL167A, VAL167B, VAL168A, VAL168B, VAL169A, VAL169B, VAL184A, VAL184B, VAL194A, VAL194B
• A-C: ASP29A, ASP29C, PRO30A, PRO30C, SER31A, SER31C, SER33A, SER33C, THR32A, THR32C
• A-D: ALA176A, ALA176D, ARG179A, ARG179D, ARG25A, ARG25D, ASN178A, ASN178D, ASP171A, ASP171D, GLU172A, GLU172D, GLU174A, GLU174D, LEU175A, LEU175D, LYS177A, LYS177D, THR21A, THR21D, VAL173A, VAL173D
• B-C: ALA176B, ARG179B, ARG179C, ARG25B, ARG25C, ASN178B, ASN178C, ASP171B, ASP171C, GLU172B, GLU172C, GLU174B, GLU174C, LEU175B, LEU175C, LYS177B, LYS177C, THR21B, THR21C, VAL173B, VAL173C
• B-D: ASP29B, ASP29D, GLU28B, PRO30B, PRO30D, SER31B, SER31D, SER33B, SER33D, THR32B, THR32D
• C-D: ALA125C, ALA125D, ALA154C, ALA176C, ALA176D, ALA186C, ALA186D, ALA196C, ALA196D, ALA205D, ARG113C, ARG113D, ARG150C, ARG155C, ARG179C, ARG179D, ARG191C, ARG191D, ARG193C, ARG193D, ARG199D, ASN152C, ASN162C, ASN162D, ASN178C, ASN178D, ASP165C, ASP165D, CYS182C, CYS182D, GLN148C, GLN181C, GLN181D, GLU153C, GLU157C, GLU157D, GLU159C, GLU159D, GLU185C, GLU185D, GLU187C, GLU187D, GLU192C, GLU192D, GLU195C, GLU195D, GLU204D, HIS188C, HIS188D, ILE122C, ILE122D, ILE151C, ILE180C, ILE180D, ILE183C, ILE183D, ILE202D, LEU120C, LEU120D, LEU163C, LEU163D, LEU175C, LEU175D, LEU189C, LEU189D, LEU203D, LYS156C, LYS190C, LYS190D, LYS197C, LYS197D, LYS200D, LYS206D, MET160C, MET160D, MET161C, MET161D, MET201D, PHE121C, PHE121D, PHE123C, PHE123D, PRO126C, PRO127C, PRO127D, SER128C, SER128D, SER149C, TYR164C, TYR164D, TYR166C, TYR166D, TYR198D, VAL158C, VAL158D, VAL167C, VAL167D, VAL168C, VAL168D, VAL169C, VAL169D, VAL184C, VAL184D, VAL194C, VAL194D