3S52

crystal structure of a putative fumarylacetoacetate hydrolase family protein from yersinia pestis co92

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 126
  • Norm. En. per Res.: -5.109
• Hub Node: A(2)

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-C	-19.6088	12.8831	-91.5685	-98.2942	58	3	6	3737	2	12	8
A-D	-112.9592	-93.4924	-437.288	-643.7396	126	30	9	15949	6	40	47
B-C	-132.0999	-97.2103	-417.966	-647.2762	128	27	8	15571	6	39	47
B-D	0.0	0.0	-0.0903	-0.0903	3	0	0	13	0	3	2
C-D	0.0	-18.1938	-53.4036	-71.5974	32	0	2	2369	0	13	14

Interface residues

• A-C: ALA10C, ALA137C, ALA183C, ALA27A, ALA37A, ALA92C, ALA94C, ARG177A, ARG5C, ARG88C, ARG91C, ASN25A, ASP13C, ASP6C, ASP87A, GLN8C, GLU138C, GLU40A, GLU86A, GLY132C, GLY184C, GLY78C, GLY95C, GLY9C, HIS4C, ILE134C, ILE165A, ILE169A, ILE30A, ILE93C, LEU11C, LEU12C, LEU43A, LEU76C, LYS211C, PHE133C, PHE139C, PHE14C, PHE178A, PRO135C, PRO15C, PRO167A, PRO170A, PRO41A, PRO80C, SER173A, SER24A, SER38A, SER85A, THR166A, THR36A, THR79C, TRP7C, TYR174A, TYR26A, TYR96C, VAL136C, VAL39A
• A-D: ALA109A, ALA109D, ALA114A, ALA114D, ALA121A, ALA121D, ALA123A, ALA123D, ALA37A, ALA50A, ALA50D, ARG177A, ARG177D, ARG182A, ARG182D, ASN17A, ASN17D, ASP125A, ASP125D, ASP185A, ASP185D, ASP63A, ASP63D, CYS21A, CYS21D, GLN108A, GLN108D, GLN116A, GLN116D, GLN83A, GLN83D, GLU119A, GLU119D, GLU40A, GLU40D, GLU48A, GLU48D, GLY115A, GLY115D, GLY126A, GLY126D, GLY23A, GLY23D, ILE45A, ILE45D, LEU104A, LEU104D, LEU107A, LEU107D, LEU181A, LEU181D, LEU43A, LEU43D, LEU51A, LEU51D, LEU81A, LEU81D, LYS112A, LYS112D, LYS113A, LYS113D, LYS120A, LYS120D, LYS122A, LYS122D, LYS18A, LYS18D, LYS46A, LYS46D, LYS62A, LYS62D, LYS82A, LYS82D, PHE111A, PHE111D, PHE124A, PHE124D, PHE178A, PHE178D, PHE179A, PHE179D, PHE44A, PHE44D, PHE64A, PHE64D, PRO117A, PRO117D, PRO15D, PRO41A, PRO41D, PRO47A, PRO47D, PRO61A, PRO61D, SER127A, SER127D, SER176A, SER176D, SER24A, SER24D, SER35A, SER38A, SER59A, SER59D, THR180A, THR180D, THR36A, THR49A, THR49D, TRP118A, TRP118D, TYR174A, TYR174D, TYR2A, TYR2D, VAL16A, VAL16D, VAL19A, VAL19D, VAL20A, VAL20D, VAL22A, VAL22D, VAL39A, VAL42A, VAL42D
• B-C: ALA109B, ALA109C, ALA114B, ALA114C, ALA121B, ALA121C, ALA123B, ALA123C, ALA37C, ALA50B, ALA50C, ARG177B, ARG177C, ARG182B, ARG182C, ASN17B, ASN17C, ASP125B, ASP125C, ASP185B, ASP185C, ASP63B, ASP63C, CYS21B, CYS21C, GLN108B, GLN108C, GLN116B, GLN116C, GLN83B, GLN83C, GLU119B, GLU119C, GLU40B, GLU40C, GLU48B, GLU48C, GLY110C, GLY115B, GLY115C, GLY126B, GLY126C, GLY23B, GLY23C, ILE45B, ILE45C, LEU104B, LEU104C, LEU107B, LEU107C, LEU181B, LEU181C, LEU43B, LEU43C, LEU51B, LEU51C, LEU81B, LEU81C, LYS112B, LYS112C, LYS113B, LYS113C, LYS120B, LYS120C, LYS122B, LYS122C, LYS18B, LYS18C, LYS46B, LYS46C, LYS62B, LYS62C, LYS82B, LYS82C, PHE111B, PHE111C, PHE124B, PHE124C, PHE178B, PHE178C, PHE179B, PHE179C, PHE44B, PHE44C, PHE64B, PHE64C, PRO117B, PRO117C, PRO41B, PRO41C, PRO47B, PRO47C, PRO61B, PRO61C, SER127B, SER127C, SER176B, SER176C, SER24B, SER24C, SER35C, SER38B, SER38C, SER59B, SER59C, THR180B, THR180C, THR36C, THR49B, THR49C, TRP118B, TRP118C, TYR174B, TYR174C, TYR2B, TYR2C, VAL16B, VAL16C, VAL19B, VAL19C, VAL20B, VAL20C, VAL22B, VAL22C, VAL39B, VAL39C, VAL42B, VAL42C
• B-D: ASP13B, GLY201D, SER200D
• C-D: ALA109D, ALA10C, ALA114D, ARG105D, ARG5C, ASP13C, ASP63D, ASP6C, GLN108D, GLN116D, GLN3C, GLN8C, GLU106D, GLY110D, GLY65D, GLY9C, HIS4C, LEU104D, LEU107D, LEU11C, LEU12C, LYS112D, LYS113D, LYS120D, LYS62D, PHE111D, PHE14C, PHE64D, PRO135C, PRO15C, SER66D, VAL16C