2Q02

crystal structure of a xylose isomerase domain containing protein (stm4435) from salmonella typhimurium lt2 at 2.40 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 84
  • Norm. En. per Res.: -2.2113
• 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	0.8431	-32.635	-31.7919	72	1	0	2417	0	14	23
A-C	0.0	-1.0842	-8.3545	-9.4387	11	0	0	537	0	1	3
A-D	-31.4703	61.4231	-164.648	-134.6953	77	7	3	6541	4	22	30
B-C	-48.6707	44.3237	-181.4	-185.747	84	8	3	7148	8	23	30
B-D	0.0	-1.2591	-14.5952	-15.8543	19	0	0	897	0	1	8
C-D	-38.5562	29.4633	-77.687	-86.7798	43	4	0	2554	2	29	33

Interface residues

• A-B: ALA208A, ALA208B, ALA210A, ALA210B, ALA251A, ALA251B, ARG204A, ARG204B, ASN107B, ASN39A, ASP108A, ASP108B, ASP202B, ASP211A, ASP211B, ASP40A, GLN213A, GLN213B, GLN249A, GLN249B, GLN77A, GLN77B, GLU207A, GLU212A, GLU212B, GLU80A, GLU80B, GLU81A, GLU81B, GLY109A, GLY109B, GLY44A, GLY44B, ILE111A, ILE111B, LEU106A, LEU106B, LEU209A, LEU209B, LEU250A, LEU250B, LYS84A, LYS84B, LYS85A, LYS85B, PRO16A, PRO16B, PRO205A, PRO42A, PRO42B, PRO74A, PRO74B, SER247A, SER248A, SER248B, SER252A, SER252B, SER43A, SER43B, SER45A, SER45B, THR110A, THR110B, THR79A, THR79B, TRP253B, TYR73A, TYR73B, VAL144A, VAL144B, VAL82A, VAL82B
• A-C: ALA208A, ARG204A, ASP108C, GLN77C, GLU207A, GLY109C, ILE111C, LEU106C, PRO205A, THR110C, THR203A
• A-D: ALA160A, ALA179D, ARG143A, ARG143D, ARG148A, ARG148D, ARG158A, ARG186A, ARG186D, ASN107A, ASN107D, ASN76A, ASN76D, ASP108A, ASP108D, GLN155A, GLN155D, GLU115A, GLU115D, GLU119A, GLU159A, GLU159D, GLU177A, GLU177D, GLU178A, GLU178D, GLU182A, GLU182D, GLU207A, GLU207D, GLY109A, GLY109D, GLY141D, HIS174D, ILE111A, ILE111D, LEU106A, LEU106D, LEU147A, LEU147D, LEU156A, LEU156D, LEU175A, LEU175D, LYS122A, LYS181A, LYS181D, PHE142A, PHE142D, PRO105D, PRO113A, PRO113D, PRO114A, PRO114D, SER145A, SER145D, SER146A, SER146D, SER149D, SER185D, THR110A, THR110D, THR117A, THR117D, THR206D, TRP152A, TRP152D, TYR176A, TYR176D, VAL112A, VAL112D, VAL116A, VAL116D, VAL118A, VAL118D, VAL144A, VAL144D
• B-C: ALA160B, ALA179B, ALA179C, ARG143B, ARG143C, ARG148B, ARG148C, ARG158B, ARG186B, ARG186C, ASN107B, ASN107C, ASN76B, ASN76C, ASP108B, ASP108C, GLN154B, GLN155B, GLN155C, GLU115B, GLU115C, GLU119B, GLU119C, GLU159B, GLU159C, GLU177B, GLU177C, GLU178B, GLU178C, GLU182B, GLU182C, GLU207B, GLU207C, GLY109B, GLY109C, GLY141B, GLY141C, HIS174C, ILE111B, ILE111C, ILE157B, LEU106B, LEU106C, LEU147B, LEU147C, LEU156B, LEU156C, LEU175B, LEU175C, LYS181B, LYS181C, PHE142B, PHE142C, PRO105C, PRO113B, PRO113C, PRO114B, PRO114C, SER145B, SER145C, SER146B, SER146C, SER149B, SER149C, SER185C, THR110B, THR110C, THR117B, THR117C, THR206B, THR206C, TRP152B, TRP152C, TYR176B, TYR176C, VAL112B, VAL112C, VAL116B, VAL116C, VAL118B, VAL118C, VAL144B, VAL144C, VAL151C
• B-D: ALA208B, ARG143B, ARG204B, ASP108D, ASP202B, GLN77D, GLU207B, GLY109D, ILE111D, LEU106D, LEU209B, PRO205B, PRO74D, THR110D, THR203B, THR206B, THR79D, TYR73D, VAL144D
• C-D: ALA120C, ALA120D, ALA160C, ALA160D, ARG123C, ARG123D, ARG130C, ARG130D, ASP126C, ASP126D, GLU115D, GLU119C, GLU119D, GLU80C, GLU80D, GLU81C, GLU81D, GLU87C, GLU87D, ILE121C, ILE121D, LEU124C, LEU124D, LEU127C, LEU127D, LEU78C, LEU78D, LYS122C, LYS122D, LYS84C, LYS84D, SER125C, SER125D, THR79C, THR79D, VAL116C, VAL116D, VAL118C, VAL118D, VAL82C, VAL82D, VAL83C, VAL83D