2E11

the crystal structure of xc1258 from xanthomonas campestris: a cn- hydrolase superfamily protein with an arsenic adduct in the active site

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 127
  • Norm. En. per Res.: -6.5402
• 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	-61.4518	28.3932	-147.597	-180.6555	75	10	5	6446	0	15	25
A-C	-107.8075	-231.5777	-486.94	-826.3252	129	17	18	18273	12	53	56
A-D	0.0	0.0	-0.0723	-0.0723	2	0	0	19	0	0	0
B-C	0.0	0.0	-0.0069	-0.0069	5	0	0	9	0	0	0
B-D	-112.6314	-230.5241	-487.452	-830.6076	127	16	18	18482	13	51	57
C-D	-60.6804	-0.309	-139.965	-200.9544	76	9	4	6186	0	16	24

Interface residues

• A-B: ALA214A, ALA214B, ALA218A, ALA218B, ALA245A, ALA245B, ARG188A, ARG188B, ARG231A, ARG231B, ASP216A, ASP216B, ASP221A, ASP221B, GLN10A, GLN10B, GLN225A, GLN225B, GLN227A, GLN227B, GLN233A, GLN233B, GLN235A, GLN235B, GLN35A, GLN35B, GLU229A, GLU229B, GLU232A, GLU232B, GLU234A, GLU234B, GLY224A, GLY224B, ILE220A, ILE220B, ILE230A, ILE230B, ILE241A, ILE241B, ILE6A, ILE6B, LEU223A, LEU223B, LYS184A, LYS184B, PHE197A, PHE197B, PHE222A, PHE222B, PRO226A, PRO226B, PRO31A, PRO31B, SER217A, SER217B, SER242A, SER242B, SER7B, THR238A, THR238B, THR239A, THR239B, THR240A, THR240B, VAL204A, VAL204B, VAL219A, VAL219B, VAL228A, VAL228B, VAL236A, VAL236B, VAL237A, VAL237B
• A-C: ALA178A, ALA178C, ALA180A, ALA180C, ALA182A, ALA182C, ALA189A, ALA189C, ALA191A, ALA191C, ALA251A, ALA251C, ALA255A, ALA255C, ARG110A, ARG110C, ARG114A, ARG114C, ARG126A, ARG126C, ARG147A, ARG147C, ARG153A, ARG153C, ARG155A, ARG155C, ARG179A, ARG179C, ARG188A, ARG188C, ARG190A, ARG190C, ARG252A, ARG252C, ASN117A, ASN154A, ASN154C, ASN194A, ASN194C, ASP145A, ASP145C, ASP221A, ASP221C, ASP258A, ASP258C, ASP260A, ASP260C, CYS152A, CYS152C, GLN225A, GLN225C, GLU193A, GLU193C, GLY116A, GLY116C, GLY224A, GLY224C, GLY259A, GLY259C, GLY265A, GLY265C, HIS111A, HIS111C, HIS119A, HIS119C, HIS249A, HIS249C, ILE192A, ILE192C, ILE220A, ILE220C, LEU112A, LEU112C, LEU146A, LEU146C, LEU186A, LEU186C, LEU187A, LEU187C, LEU195A, LEU195C, LEU223A, LEU223C, LEU257A, LEU257C, LEU264A, LEU264C, LYS184A, LYS184C, MET256A, MET256C, PHE113A, PHE113C, PHE115A, PHE115C, PHE148A, PHE148C, PHE151A, PHE151C, PHE222A, PHE222C, PHE253A, PHE253C, PHE262A, PHE262C, PRO149A, PRO149C, PRO176A, PRO176C, PRO226A, PRO226C, PRO254A, PRO254C, SER261A, SER261C, THR185A, THR185C, TRP175A, TRP175C, TRP183A, TRP183C, TYR144A, TYR144C, TYR181A, TYR181C, VAL150A, VAL150C, VAL263A, VAL263C
• A-D: ARG231A, TYR181D
• B-C: ARG231C, LYS184B, LYS184C, TYR181B, TYR181C
• B-D: ALA178B, ALA178D, ALA182B, ALA182D, ALA189B, ALA189D, ALA191B, ALA191D, ALA251B, ALA251D, ALA255B, ALA255D, ARG110B, ARG110D, ARG114B, ARG114D, ARG126B, ARG126D, ARG147B, ARG147D, ARG153B, ARG153D, ARG155B, ARG155D, ARG179B, ARG179D, ARG188B, ARG188D, ARG190B, ARG190D, ARG252B, ARG252D, ASN117B, ASN154B, ASN154D, ASN194B, ASN194D, ASP145B, ASP145D, ASP221B, ASP221D, ASP258B, ASP258D, ASP260B, ASP260D, CYS152B, CYS152D, GLN225B, GLN225D, GLU193B, GLU193D, GLY116B, GLY116D, GLY224B, GLY224D, GLY259B, GLY259D, GLY265B, GLY265D, HIS111B, HIS111D, HIS119B, HIS119D, HIS249B, HIS249D, ILE192B, ILE192D, ILE220B, ILE220D, LEU112B, LEU112D, LEU146B, LEU146D, LEU186B, LEU186D, LEU187B, LEU187D, LEU195B, LEU195D, LEU223B, LEU223D, LEU257B, LEU257D, LEU264B, LEU264D, LYS184B, LYS184D, MET256B, MET256D, PHE113B, PHE113D, PHE115B, PHE115D, PHE148B, PHE148D, PHE151B, PHE151D, PHE222B, PHE222D, PHE253B, PHE253D, PHE262B, PHE262D, PRO149B, PRO149D, PRO176B, PRO176D, PRO226B, PRO226D, PRO254B, PRO254D, SER261B, SER261D, THR185B, THR185D, TRP175B, TRP175D, TRP183B, TRP183D, TYR144B, TYR144D, TYR181B, TYR181D, VAL150B, VAL150D, VAL263B, VAL263D
• C-D: ALA180C, ALA214C, ALA214D, ALA218C, ALA218D, ALA245C, ALA245D, ARG188C, ARG188D, ARG231C, ARG231D, ASP216C, ASP216D, ASP221C, ASP221D, GLN10C, GLN10D, GLN225C, GLN225D, GLN227C, GLN227D, GLN233C, GLN233D, GLN235C, GLN235D, GLN35C, GLN35D, GLU229C, GLU229D, GLU232C, GLU232D, GLU234C, GLU234D, GLY224C, GLY224D, ILE220C, ILE220D, ILE230C, ILE230D, ILE241C, ILE241D, ILE6C, ILE6D, LEU223C, LEU223D, LYS184C, LYS184D, PHE197C, PHE197D, PHE222C, PHE222D, PRO226C, PRO226D, PRO31C, PRO31D, SER217C, SER217D, SER242C, SER242D, SER7D, THR238C, THR238D, THR239C, THR239D, THR240C, THR240D, VAL204C, VAL204D, VAL219C, VAL219D, VAL228C, VAL228D, VAL236C, VAL236D, VAL237C, VAL237D