3HXZ

crystal structure of catalytic fragment of e. coli alars g237a in complex with alasa

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 80
  • Norm. En. per Res.: -3.7769
• 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	-48.1718	-84.0837	-169.894	-302.1495	80	11	0	6030	4	30	33
A-C	-27.0056	-32.1796	-160.866	-220.0512	95	6	4	7468	3	37	44
A-D	-16.1317	-12.2714	-49.8523	-78.2554	45	4	0	1992	1	26	21
B-C	-14.7623	-13.5142	-49.4655	-77.742	46	0	0	1977	1	26	21
B-D	-19.984	-53.003	-164.053	-237.0399	95	3	4	7526	6	38	44

Interface residues

• A-B: ALA41A, ALA41B, ALA435A, ALA435B, ALA438A, ALA438B, ARG305A, ARG305B, ARG432A, ARG432B, ARG433A, ARG433B, ARG436A, ARG436B, ARG56A, ARG56B, ASN32A, ASN32B, ASN40A, ASN40B, ASN44A, ASN44B, ASP296A, ASP296B, ASP33A, ASP33B, ASP48A, ASP48B, ASP54A, ASP54B, GLN45A, GLN45B, GLN65A, GLN65B, GLU437A, GLU437B, GLY440A, GLY440B, GLY52A, GLY52B, HIS31A, HIS31B, LEU28A, LEU28B, LEU36A, LEU36B, LEU51A, LEU51B, LEU53A, LEU53B, LYS47A, LYS47B, LYS55A, LYS55B, MET172A, MET172B, MET43A, MET43B, PHE38A, PHE38B, PHE441A, PHE441B, PHE46A, PHE46B, PRO30A, PRO30B, PRO34A, PRO34B, SER25A, SER25B, SER26A, SER26B, SER27A, SER27B, SER439A, SER439B, THR39A, THR39B, VAL29A, VAL29B
• A-C: ALA106C, ALA110C, ALA367A, ALA375A, ALA435A, ALA438A, ARG310A, ARG314A, ARG368A, ARG372A, ARG396A, ARG432A, ARG433A, ARG434A, ARG436A, ARG60C, ASN219C, ASN302A, ASP100C, ASP105C, ASP135C, ASP136C, ASP399A, GLN217C, GLN365A, GLN431A, GLU117C, GLU137C, GLU140C, GLU145C, GLU227C, GLU303A, GLU371A, GLU379A, GLU380A, GLU392A, GLU430A, GLU437A, GLY147C, GLY373A, GLY402A, GLY440A, GLY99C, ILE107C, ILE141C, ILE148C, LEU104C, LEU108C, LEU112C, LEU113C, LEU229C, LEU376A, LEU377A, LYS103C, LYS118C, LYS124C, LYS144C, LYS18C, LYS231C, LYS383A, LYS55C, MET216C, MET428A, PHE102C, PHE109C, PHE14C, PHE169C, PHE215C, PHE218C, PHE395A, PHE441A, PHE98C, PRO180C, PRO228C, PRO230C, PRO232C, SER116C, SER134C, SER233C, SER439A, SER59C, SER97C, THR115C, THR369A, THR400A, TRP111C, TRP119C, TRP142C, TYR101C, TYR132C, TYR164C, TYR398A, TYR401A, VAL146C, VAL234C
• A-D: ALA24A, ALA295A, ARG126D, ARG152D, ARG206D, ARG350A, ARG56A, ASN32A, ASN57A, ASP187D, ASP296A, ASP347A, ASP54A, GLN21A, GLN351A, GLN354A, GLN45A, GLU117D, GLU125D, GLU143D, GLU145D, GLU151D, GLU346A, GLY147D, GLY297A, HIS31A, ILE141D, ILE148D, ILE294A, LYS118D, LYS124D, LYS144D, LYS55A, PHE46A, PRO123D, PRO149D, SER116D, TRP119D, TRP128D, TRP142D, TYR58A, VAL146D, VAL22A, VAL23A, VAL49A
• B-C: ALA24B, ALA295B, ARG126C, ARG152C, ARG206C, ARG350B, ARG56B, ASN32B, ASN57B, ASP187C, ASP296B, ASP347B, ASP54B, GLN21B, GLN351B, GLN354B, GLN45B, GLU117C, GLU125C, GLU143C, GLU145C, GLU151C, GLU346B, GLY147C, GLY297B, HIS31B, ILE141C, ILE148C, ILE294B, LEU127C, LYS118C, LYS124C, LYS144C, LYS55B, PHE46B, PRO123C, PRO149C, SER116C, TRP119C, TRP128C, TRP142C, TYR58B, VAL146C, VAL22B, VAL23B, VAL49B
• B-D: ALA106D, ALA110D, ALA367B, ALA375B, ALA435B, ALA438B, ARG310B, ARG314B, ARG368B, ARG372B, ARG396B, ARG432B, ARG433B, ARG434B, ARG436B, ARG60D, ASN219D, ASN302B, ASP100D, ASP105D, ASP135D, ASP136D, ASP399B, GLN217D, GLN365B, GLN431B, GLU117D, GLU137D, GLU140D, GLU145D, GLU227D, GLU303B, GLU371B, GLU379B, GLU380B, GLU392B, GLU430B, GLU437B, GLY147D, GLY373B, GLY402B, GLY440B, GLY99D, ILE107D, ILE141D, ILE148D, LEU104D, LEU108D, LEU112D, LEU113D, LEU229D, LEU376B, LEU377B, LYS103D, LYS118D, LYS124D, LYS144D, LYS18D, LYS231D, LYS383B, LYS55D, MET216D, MET428B, PHE102D, PHE109D, PHE14D, PHE169D, PHE215D, PHE218D, PHE395B, PHE441B, PHE98D, PRO180D, PRO228D, PRO230D, PRO232D, SER116D, SER134D, SER233D, SER439B, SER59D, SER97D, THR115D, THR369B, THR400B, TRP111D, TRP119D, TRP142D, TYR101D, TYR132D, TYR164D, TYR398B, TYR401B, VAL146D, VAL234D