3PB0

characterisation of the first monomeric dihydrodipicolinate synthase variant reveals evolutionary insights

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 21
  • Norm. En. per Res.: -2.2206
• 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	-6.0833	-4.0057	-65.8469	-75.9359	49	5	0	2892	0	19	20
A-C	-21.725	13.3316	-139.997	-148.3904	74	5	3	5712	2	26	27
A-D	-5.6129	-25.5669	-15.4533	-46.633	21	1	0	750	3	24	14
B-C	-4.1327	18.6788	-34.9323	-20.3862	28	0	0	1586	2	20	22
C-D	-9.1219	-5.1395	-20.2586	-34.52	27	1	0	962	0	15	13

Interface residues

• A-B: ALA151A, ALA152A, ALA180A, ALA222A, ARG124B, ARG181A, ARG3A, ASN107B, ASN36A, ASP-3A, ASP126B, ASP183A, ASP203A, GLN179A, GLN90B, GLU123B, GLU82B, GLY-5B, GLY201A, GLY202A, GLY227A, GLY4A, ILE121B, LEU85B, LEU87B, LYS119B, LYS155A, LYS155B, LYS178A, LYS83B, LYS86B, LYS89B, LYS93B, MET185A, MET1A, PHE184A, PHE225A, PHE2A, PRO-2A, SER122B, SER182A, SER226A, SER80B, THR125B, THR81B, THR84B, TYR120B, TYR224A, VAL88B
• A-C: ALA166A, ALA166C, ALA167A, ALA167C, ALA168A, ALA168C, ALA200A, ALA200C, ARG172A, ARG172C, ARG193A, ARG193C, ARG233A, ARG233C, ARG237A, ARG237C, ARG240A, ARG240C, ASN228A, ASP171A, ASP171C, ASP192A, ASP192C, CYS199A, CYS199C, GLN169A, GLN169C, GLN179A, GLN179C, GLU145C, GLU230A, GLU230C, GLU234A, GLY201A, GLY201C, GLY202A, GLY202C, GLY227A, GLY227C, HIS236A, HIS236C, ILE170A, ILE170C, LEU143C, LEU176A, LEU176C, LEU197A, LEU197C, LEU198A, LEU198C, LEU229A, LEU229C, LYS178C, LYS238A, LYS244A, LYS244C, PHE195A, PHE195C, PHE225A, PRO144A, PRO144C, PRO165A, PRO165C, SER175A, SER175C, SER232A, THR173A, THR194A, TYR196A, TYR196C, TYR224A, TYR224C, VAL174A, VAL174C
• A-D: ARG237A, ARG28D, ARG61D, ASN228A, ASP67D, GLU219A, GLU230A, GLU234A, GLU24D, GLU290A, GLU64D, GLY68D, ILE65D, LEU20D, LEU63D, LYS231A, LYS238A, LYS57D, LYS69D, SER60D, VAL66D
• B-C: ALA96B, ARG124B, ARG233C, ARG237C, ASN156B, ASN228C, ASN97B, ASP-3B, ASP126B, GLU123B, GLU230C, GLU234C, GLU92B, GLY-5B, GLY227C, GLY95B, ILE-4B, LEU127B, LEU229C, LEU63B, LEU94B, LYS231C, LYS238C, LYS89B, LYS93B, SER226C, SER232C, THR125B
• C-D: ALA152C, ALA180C, ARG181C, ARG25D, ARG28D, ASN33D, ASP183C, ASP67D, GLN179C, GLU24D, GLU32D, ILE65D, LEU26D, LEU31D, LYS155C, LYS178C, LYS215D, LYS69D, MET1C, PHE184C, PHE264D, PRO-2C, SER175C, SER182C, THR177C, TYR29D, VAL27D