3RO6

crystal structure of dipeptide epimerase from methylococcus capsulatus complexed with mg ion

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 35
  • Norm. En. per Res.: -3.6903
• Hub Node: B(4)

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
B-A	0.0	0.0	-28.1312	-28.1312	32	0	3	1298	0	16	14
B-C	-18.501	-57.1752	-285.312	-360.9881	137	10	3	12120	3	30	37
B-D	0.0	0.0	-0.0113	-0.0113	3	0	0	2	0	5	2
B-F	-14.6053	26.4566	-32.7165	-20.8652	32	3	0	1518	0	18	19
C-D	-18.7926	-65.7369	-44.6323	-129.1619	35	7	0	2165	5	22	24
C-E	0.0	0.0	-0.0395	-0.0395	3	0	0	8	0	5	5
D-E	-36.1623	-55.978	-270.957	-363.0973	135	7	4	11948	3	30	38

Interface residues

• B-A: ALA146B, ALA148B, ALA153A, ALA153B, ALA327B, ALA331A, ARG149B, ARG184B, ARG328A, ARG328B, ARG343A, ARG347A, ASP329A, ASP339A, GLU147B, GLU150B, GLU332A, GLU332B, GLU338A, GLY155B, GLY333A, HIS151B, LEU145B, LEU152B, LEU154A, LEU154B, LEU352A, PRO14B, PRO355A, TYR354A, VAL330A, VAL353A
• B-C: ALA112B, ALA112C, ALA126B, ALA126C, ALA248B, ALA248C, ALA250B, ALA250C, ALA252B, ALA252C, ALA254B, ALA254C, ALA255B, ALA255C, ALA258B, ALA258C, ALA274B, ALA274C, ALA280B, ALA280C, ALA283B, ALA283C, ALA286B, ALA286C, ALA308C, ALA311B, ALA311C, ALA314B, ALA314C, ARG125B, ARG125C, ARG228B, ARG228C, ARG277B, ARG277C, ARG278B, ARG278C, ARG77B, ARG77C, ARG80B, ARG80C, ARG84B, ARG84C, ARG87B, ARG87C, ASP128B, ASP128C, ASP249B, ASP249C, ASP78B, ASP78C, CYS114B, CYS114C, CYS312B, CYS312C, CYS86B, CYS86C, GLN113B, GLN113C, GLU121B, GLU121C, GLU284B, GLU284C, GLU88B, GLU88C, GLU91B, GLU91C, GLY116B, GLY116C, GLY124B, GLY124C, GLY246B, GLY246C, GLY287B, HIS127B, HIS127C, ILE122B, ILE122C, ILE279B, ILE279C, ILE282B, ILE282C, ILE288B, ILE288C, ILE79B, ILE79C, LEU115B, LEU115C, LEU117B, LEU117C, LEU119B, LEU119C, LEU123B, LEU123C, LEU253B, LEU253C, LEU290C, LEU310B, LEU310C, LEU82B, LEU82C, LEU85B, LEU85C, LYS2B, LYS2C, MET1B, MET1C, PHE251B, PHE251C, PHE263B, PHE263C, PRO118B, PRO118C, PRO247B, PRO247C, PRO256B, PRO256C, PRO257B, PRO257C, PRO275B, PRO275C, PRO313B, PRO313C, PRO348B, PRO348C, PRO83B, PRO83C, THR281B, THR281C, THR285B, THR285C, THR81B, THR81C, VAL111B, VAL111C, VAL120B, VAL120C
• B-D: ALA39D, ASP128B, ASP40D
• B-F: ALA39B, ALA4B, ARG125F, ARG343F, ARG347F, ARG37B, ARG77B, ARG80B, ASP128F, ASP40B, ASP5B, ASP78B, GLU121F, GLU338F, GLU346F, GLY116F, GLY41B, GLY76B, ILE336F, ILE3B, ILE79B, LEU117F, LEU42B, LYS2B, MET1B, PRO118F, PRO348F, SER129F, THR345F, THR38B, VAL120F, VAL344F
• C-D: ALA39D, ALA4D, ALA64C, ALA65C, ARG70C, ARG70D, ARG77C, ARG77D, ARG84C, ARG92C, ARG92D, ASP5D, ASP67C, ASP67D, ASP69C, ASP69D, GLU88D, GLY72C, GLY72D, GLY76C, GLY76D, HIS68C, HIS68D, ILE3D, ILE6D, LEU71C, LEU71D, LEU74C, LEU74D, LYS2C, LYS2D, MET75C, MET75D, TRP73C, TRP73D
• C-E: ALA39C, GLU346E, LYS2C
• D-E: ALA112D, ALA112E, ALA126D, ALA126E, ALA248D, ALA248E, ALA250D, ALA250E, ALA252D, ALA252E, ALA254D, ALA254E, ALA255D, ALA255E, ALA258D, ALA258E, ALA274D, ALA280D, ALA280E, ALA283D, ALA283E, ALA286D, ALA286E, ALA308D, ALA311D, ALA311E, ALA314D, ALA314E, ARG125D, ARG125E, ARG228D, ARG228E, ARG277D, ARG277E, ARG278D, ARG278E, ARG77E, ARG80D, ARG80E, ARG84D, ARG84E, ARG87D, ARG87E, ASP128D, ASP128E, ASP249D, ASP249E, ASP78D, ASP78E, CYS114D, CYS114E, CYS312D, CYS312E, CYS86D, CYS86E, GLN113D, GLN113E, GLU121D, GLU121E, GLU284D, GLU284E, GLU88D, GLU88E, GLU91D, GLU91E, GLY116D, GLY116E, GLY124D, GLY124E, GLY246D, GLY246E, GLY287D, HIS127D, HIS127E, ILE122D, ILE122E, ILE279D, ILE279E, ILE282D, ILE282E, ILE288D, ILE288E, ILE79D, ILE79E, LEU115D, LEU115E, LEU117D, LEU117E, LEU119D, LEU119E, LEU123D, LEU123E, LEU253D, LEU253E, LEU290E, LEU310D, LEU310E, LEU82D, LEU82E, LEU85D, LEU85E, LYS2D, LYS2E, MET1D, MET1E, PHE251D, PHE251E, PHE263D, PHE263E, PRO118D, PRO118E, PRO247D, PRO247E, PRO256D, PRO256E, PRO257D, PRO257E, PRO275D, PRO275E, PRO313D, PRO313E, PRO348D, PRO348E, PRO83D, PRO83E, THR281D, THR281E, THR285D, THR285E, THR81D, THR81E, VAL111D, VAL111E, VAL120D, VAL120E