3KPD

crystal structure of the cbs domain pair of protein mj0100 in complex with 5 -methylthioadenosine and s-adenosyl-l- methionine.

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 64
  • Norm. En. per Res.: -2.9516
• 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-B	-3.6816	-25.0448	-91.5491	-120.2755	59	12	1	4206	2	46	47
A-D	0.0	8.075	-1.8705	6.2045	20	6	0	820	0	6	8
B-C	0.0	6.7763	-353.283	-346.5067	121	16	27	15685	0	22	24
B-D	-14.5015	-20.4284	-153.971	-188.9009	64	15	0	6274	3	30	40

Interface residues

• A-B: ALA462A, ALA462B, ARG457A, ARG457B, ARG490A, ARG490B, ARG491B, ASN458A, ASN458B, ASP426B, ASP465A, ASP465B, ASP487A, ASP487B, ASP488A, ASP488B, GLU427B, GLU464A, GLU464B, GLU466A, GLU466B, GLY433B, HIS428B, HIS463A, HIS463B, HIS470A, HIS470B, ILE460A, ILE460B, ILE473A, ILE480A, LEU389A, LEU431A, LEU431B, LYS391A, LYS430A, LYS430B, LYS474A, LYS474B, LYS477A, LYS477B, MET475A, PRO467A, PRO467B, THR456A, THR456B, THR461A, THR461B, TYR478A, TYR478B, TYR489A, TYR489B, VAL432B, VAL459A, VAL459B, VAL471A, VAL483A, VAL486A, VAL486B
• A-D: ARG457A, ARG503D, ASN418D, ASN458A, ASP426A, GLN446A, HIS417D, ILE399D, ILE415D, ILE419D, ILE460A, LYS396D, LYS416D, LYS448A, PRO397D, PRO398D, THR456A, TYR478A, VAL432A, VAL459A
• B-C: ALA410B, ALA410C, ALA411B, ALA411C, ALA441B, ALA441C, ALA443B, ALA443C, ALA445B, ALA445C, ALA472B, ALA472C, ARG503B, ARG503C, ASN418B, ASN418C, ASN420B, ASN420C, ASN447B, ASN447C, ASN479B, ASN479C, ASP439B, ASP439C, ASP469B, ASP469C, ASP500B, ASP500C, GLN446B, GLN446C, GLU409B, GLU409C, GLU499B, GLU499C, GLY482B, GLY482C, GLY506B, GLY506C, GLY507B, HIS417B, HIS417C, HIS421B, HIS421C, HIS470B, HIS470C, ILE393B, ILE393C, ILE407B, ILE407C, ILE413B, ILE413C, ILE415B, ILE415C, ILE419B, ILE419C, ILE440B, ILE440C, ILE451C, ILE454B, ILE454C, ILE473B, ILE473C, ILE480B, ILE480C, ILE501B, ILE501C, LEU389C, LEU414B, LEU414C, LEU444B, LEU444C, LEU504B, LEU504C, LYS412B, LYS412C, LYS416B, LYS416C, LYS442B, LYS442C, LYS448B, LYS448C, LYS449B, LYS474C, LYS477B, LYS477C, LYS508B, MET408B, MET408C, MET475B, MET475C, PHE505B, PHE505C, PRO467B, PRO467C, SER406B, SER406C, SER437B, SER437C, SER476B, SER476C, SER481B, SER481C, SER498B, SER498C, SER502B, SER502C, THR388B, THR388C, THR436B, THR436C, THR497B, THR497C, TRP438B, TRP438C, TYR478C, VAL468B, VAL468C, VAL471B, VAL471C, VAL496B, VAL496C
• B-D: ALA401B, ALA401D, ALA410B, ALA410D, ARG491B, ARG491D, ASN404B, ASN404D, ASP426B, ASP426D, GLU409B, GLU409D, GLU427B, GLU427D, GLY429B, GLY429D, GLY494D, HIS402B, HIS402D, HIS417B, HIS417D, HIS428B, HIS428D, ILE399B, ILE399D, ILE405B, ILE405D, ILE413B, ILE413D, ILE419B, ILE419D, ILE424B, ILE424D, LEU414D, LEU422B, LEU422D, LYS396B, LYS396D, LYS412D, LYS416B, LYS416D, LYS430B, LYS430D, MET408D, PRO397B, PRO397D, PRO398B, PRO398D, PRO423B, PRO423D, SER403B, SER403D, SER406B, SER406D, THR400B, THR400D, TYR489B, TYR489D, VAL425B, VAL425D, VAL492B, VAL492D, VAL493B, VAL493D