2Y7D

crystal structure of the 3-keto-5-aminohexanoate cleavage enzyme (kce) from candidatus cloacamonas acidaminovorans (orthorombic form)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 119
  • Norm. En. per Res.: -4.5466
• 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	-101.7145	-97.2333	-327.84	-526.7878	120	12	3	12634	6	38	24
A-C	0.0	40.3058	-2.9258	37.3801	14	0	0	235	0	14	10
A-D	-24.9714	-92.8827	-246.885	-364.7391	89	5	13	10690	8	28	71
B-C	-27.089	-100.2506	-251.0	-378.3397	88	6	13	10614	8	27	62
B-D	0.0	41.6722	-3.6492	38.023	15	0	0	297	0	20	12
C-D	-103.9484	-98.1028	-338.992	-541.0432	119	13	3	13033	6	38	26

Interface residues

• A-B: ALA109A, ALA109B, ALA124A, ALA124B, ALA152A, ALA152B, ARG155A, ARG155B, ARG209A, ARG209B, ASN108A, ASN108B, ASN113A, ASN113B, ASN121A, ASN121B, ASN185A, ASN185B, ASP116A, ASP116B, ASP117A, ASP117B, ASP125A, ASP125B, ASP151A, ASP151B, GLU146A, GLU146B, GLU191A, GLU191B, GLU195A, GLU195B, GLU196A, GLU196B, GLY110A, GLY110B, GLY115A, GLY115B, GLY148A, GLY148B, GLY174A, GLY174B, GLY177A, GLY177B, GLY178A, GLY178B, GLY181A, GLY181B, HIS122A, HIS122B, HIS192A, HIS192B, ILE118A, ILE118B, ILE120A, ILE120B, ILE126A, ILE126B, ILE127A, ILE127B, ILE197A, ILE197B, LEU112A, LEU112B, LEU156A, LEU156B, LEU173A, LEU173B, LEU186A, LEU186B, LEU193A, LEU193B, LYS158A, LYS158B, LYS159A, LYS159B, LYS182A, LYS182B, LYS184A, LYS184B, LYS194A, LYS194B, MET149A, MET149B, MET179A, MET179B, MET187A, MET187B, MET189A, MET189B, MET190A, MET190B, PHE114A, PHE114B, PHE119A, PHE119B, PRO123A, PRO123B, PRO176A, PRO176B, PRO183A, PRO183B, SER147A, SER147B, SER180A, SER180B, THR111A, THR111B, TRP210A, TRP210B, TYR145A, TYR145B, TYR188A, TYR188B, VAL150A, VAL150B, VAL153A, VAL153B, VAL175A, VAL175B
• A-C: GLU191A, GLU191C, GLU195A, GLU195C, LYS184A, LYS184C, LYS194A, LYS194C, MET187A, MET187C, MET190A, MET190C, TYR188A, TYR188C
• A-D: ALA218A, ALA218D, ALA249A, ALA249D, ALA255A, ALA255D, ARG209A, ARG209D, ARG250A, ARG250D, ARG253A, ARG253D, ARG260A, ARG260D, ASN185A, ASN185D, GLN246A, GLU191A, GLU191D, GLU195A, GLU195D, GLU257A, GLU257D, GLY181A, GLY208A, GLY208D, GLY222A, GLY222D, GLY259A, GLY259D, HIS-1A, HIS-1D, HIS-2D, HIS0A, HIS0D, HIS1A, HIS1D, HIS211A, HIS211D, HIS236A, HIS236D, ILE212A, ILE212D, ILE217A, ILE217D, ILE225A, ILE225D, ILE254A, ILE254D, ILE258A, ILE258D, LEU186A, LEU186D, LEU216A, LEU216D, LEU251A, LEU251D, LYS182A, LYS182D, LYS184A, LYS184D, LYS237A, LYS237D, LYS256A, LYS256D, MET187A, MET187D, MET190A, MET190D, MET219A, MET219D, PRO183A, PRO183D, PRO213A, PRO213D, SER215A, SER215D, THR214A, THR214D, THR221A, THR221D, TRP210A, TRP210D, TYR188A, TYR188D, TYR235A, TYR235D, VAL220A, VAL220D
• B-C: ALA218B, ALA218C, ALA249B, ALA249C, ALA255B, ALA255C, ARG209B, ARG209C, ARG250B, ARG250C, ARG253B, ARG253C, ARG260B, ARG260C, ASN185B, ASN185C, GLN246C, GLU191B, GLU191C, GLU195B, GLU195C, GLU257B, GLU257C, GLY181B, GLY181C, GLY208B, GLY208C, GLY222B, GLY222C, GLY259B, GLY259C, HIS-1B, HIS0B, HIS0C, HIS1B, HIS1C, HIS211B, HIS211C, HIS236B, HIS236C, ILE212B, ILE212C, ILE217B, ILE217C, ILE225B, ILE225C, ILE254B, ILE254C, ILE258B, ILE258C, LEU186B, LEU186C, LEU216B, LEU216C, LEU251B, LEU251C, LYS182B, LYS182C, LYS184B, LYS184C, LYS237B, LYS237C, LYS256B, LYS256C, MET187B, MET187C, MET190B, MET190C, MET219B, MET219C, PRO183B, PRO183C, PRO213B, PRO213C, SER215B, SER215C, THR214B, THR214C, THR221B, THR221C, TRP210B, TRP210C, TYR188B, TYR188C, TYR235B, TYR235C, VAL220B, VAL220C
• B-D: GLU191B, GLU191D, GLU195B, GLU195D, HIS-2D, LYS184B, LYS184D, LYS194B, LYS194D, MET187B, MET187D, MET190B, MET190D, TYR188B, TYR188D
• C-D: ALA109C, ALA109D, ALA124C, ALA124D, ALA152C, ALA152D, ARG155C, ARG155D, ARG209C, ARG209D, ASN108C, ASN108D, ASN113C, ASN113D, ASN121C, ASN121D, ASN185C, ASN185D, ASP116C, ASP116D, ASP117C, ASP117D, ASP125C, ASP125D, ASP151C, ASP151D, GLU146C, GLU146D, GLU191C, GLU191D, GLU195C, GLU195D, GLU196C, GLU196D, GLY110C, GLY110D, GLY115C, GLY115D, GLY148C, GLY148D, GLY174C, GLY174D, GLY177C, GLY177D, GLY178C, GLY178D, GLY181C, GLY181D, HIS122C, HIS122D, HIS192C, HIS192D, ILE118C, ILE118D, ILE120C, ILE120D, ILE126C, ILE126D, ILE127C, ILE127D, ILE197C, ILE197D, LEU112C, LEU112D, LEU156C, LEU156D, LEU173C, LEU173D, LEU186C, LEU186D, LEU193C, LEU193D, LYS158C, LYS159C, LYS159D, LYS182C, LYS182D, LYS184C, LYS184D, LYS194C, LYS194D, MET149C, MET149D, MET179C, MET179D, MET187C, MET187D, MET189C, MET189D, MET190C, MET190D, PHE114C, PHE114D, PHE119C, PHE119D, PRO123C, PRO123D, PRO176C, PRO176D, PRO183C, PRO183D, SER147C, SER147D, SER180C, SER180D, THR111C, THR111D, TRP210C, TRP210D, TYR145C, TYR145D, TYR188C, TYR188D, VAL150C, VAL150D, VAL153C, VAL153D, VAL175C, VAL175D