1YDN

crystal structure of the hmg-coa lyase from brucella melitensis, northeast structural genomics target lr35.

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 86
  • Norm. En. per Res.: -2.2249
• 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	0.0	-2.4935	-0.2131	-2.7065	8	0	0	60	0	9	11
A-C	-31.1748	8.6316	-168.801	-191.3442	86	17	2	8033	0	19	21
A-D	0.0	-5.327	-23.1444	-28.4714	38	3	0	1449	1	17	15
B-D	-8.8131	1.678	-125.007	-132.1421	78	6	1	6066	0	17	20
C-D	-4.5186	9.4389	-6.2188	-1.2986	19	0	0	315	0	5	3

Interface residues

• A-B: ALA2A, ALA65B, ARG226A, ARG61B, GLU222A, GLU3A, LEU221A, PHE262A
• A-C: ALA109A, ALA109C, ALA241A, ALA241C, ALA244A, ALA244C, ALA58C, ARG180A, ARG212A, ARG21A, ARG21C, ARG282A, ASN110A, ASN110C, ASN112A, ASN112C, ASN18A, ASN18C, ASP149A, ASP149C, ASP208A, ASP284A, ASP284C, CYS113C, CYS146A, CYS238A, CYS238C, GLN17C, GLN283A, GLN283C, GLN56A, GLN56C, GLU104C, GLU145A, GLU19A, GLU19C, GLY105C, GLY150A, GLY179A, GLY210A, GLY211A, GLY237C, GLY243A, GLY243C, ILE111A, ILE111C, ILE178A, ILE178C, LEU16C, LEU281A, LEU57C, LYS108C, LYS20A, LYS20C, LYS245A, LYS28C, LYS52A, LYS52C, PHE106A, PHE106C, PHE22A, PHE22C, PHE240A, PHE240C, PRO147A, PRO147C, PRO151A, PRO239A, PRO239C, PRO242A, PRO242C, PRO24C, PRO51C, PRO55A, PRO55C, SER107C, SER50C, THR177A, THR209A, TRP53A, TRP53C, TYR148A, TYR148C, VAL23C, VAL54A, VAL54C
• A-D: ALA109D, ALA187A, ALA188A, ARG121D, ARG180A, ARG212A, ARG218A, ASN112D, ASN81D, ASP184A, ASP191A, ASP215A, CYS113D, GLU117D, GLU120D, GLU222A, GLU259A, GLY181A, ILE111D, LEU122D, LEU214A, LYS108D, LYS223A, LYS52D, LYS83D, PRO124D, PRO183A, PRO51D, PRO80D, SER118D, SER123D, SER50D, THR182A, THR185A, TRP53D, VAL125D, VAL219A, VAL49D
• B-D: ALA109B, ALA109D, ALA241B, ALA241D, ALA244D, ALA58B, ARG180D, ARG21B, ARG21D, ARG282D, ASN110B, ASN110D, ASN112B, ASN112D, ASN18B, ASN18D, ASP149D, ASP284B, ASP284D, ASP59B, CYS113B, CYS146D, CYS238B, CYS238D, GLN17B, GLN17D, GLN283D, GLN56B, GLN56D, GLU104B, GLU145D, GLU19B, GLU19D, GLY105B, GLY150D, GLY210D, GLY237B, GLY243D, ILE111B, ILE111D, ILE178D, LEU57B, LYS108B, LYS20B, LYS20D, LYS245D, LYS28B, LYS52B, LYS52D, PHE106B, PHE106D, PHE22B, PHE22D, PHE240B, PHE240D, PRO147B, PRO147D, PRO239B, PRO239D, PRO242B, PRO242D, PRO24B, PRO51B, PRO55B, PRO55D, SER107B, SER50B, THR209D, TRP53B, TRP53D, TYR148B, TYR148D, VAL23B, VAL23D, VAL49B, VAL49D, VAL54B, VAL54D
• C-D: ALA128D, ALA244C, ALA252C, ALA87D, ALA89D, ALA90D, ASN131D, ASP132D, ASP249C, ASP284C, GLN279C, GLN283C, GLU86D, GLY127D, GLY233C, GLY243C, LYS245C, PRO124D, PRO242C