1RF4

structural studies of streptococcus pneumoniae epsp synthase, tetrahedral intermediate bound state

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 41
  • Norm. En. per Res.: -1.4728
• 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	0.0	5.3226	-50.6636	-45.341	60	4	1	2710	0	28	21
A-C	-12.6239	-5.2035	-42.5558	-60.3831	41	1	2	2717	0	7	9
B-D	-8.2681	-4.4933	-41.5646	-54.326	43	2	1	2802	0	8	9
C-D	-15.5272	2.8114	-35.2617	-47.9775	56	3	1	2354	0	26	20

Interface residues

• A-B: ALA271A, ALA271B, ALA285A, ALA285B, ARG270A, ARG270B, ARG309A, ASP198A, ASP198B, ASP210A, ASP210B, ASP267A, ASP267B, ASP282A, ASP282B, GLN201A, GLN201B, GLN202A, GLN202B, GLU260A, GLU260B, GLU277A, GLU277B, GLU280A, GLU280B, GLY205A, GLY211A, GLY211B, GLY273B, HIS206A, HIS206B, ILE214B, ILE266A, ILE266B, ILE278A, ILE278B, ILE281A, ILE281B, LEU207A, LEU207B, LEU276A, LEU276B, LYS213A, LYS213B, LYS286A, LYS286B, PRO283A, PRO283B, SER208A, SER208B, THR215A, THR215B, THR279A, THR279B, VAL209A, VAL209B, VAL268A, VAL268B, VAL284A, VAL284B
• A-C: ALA348C, ALA362A, ALA362C, ASN352A, ASP357A, ASP357C, ASP363C, GLN345A, GLN345C, GLU301A, GLU301C, GLY326A, GLY326C, GLY364C, GLY369A, ILE330C, ILE344C, ILE358A, ILE358C, ILE366A, ILE366C, ILE367A, ILE367C, LYS331A, LYS331C, LYS368A, LYS368C, MET365A, MET365C, PRO360A, PRO360C, THR328A, THR328C, THR359A, THR359C, THR361A, THR361C, VAL327A, VAL327C, VAL329A, VAL329C
• B-D: ALA348B, ALA348D, ALA362B, ALA362D, ASN352D, ASP357B, ASP357D, ASP363B, CYS303B, GLN345B, GLN345D, GLU301B, GLU301D, GLY326B, GLY326D, GLY364B, GLY369D, ILE330B, ILE344B, ILE358B, ILE358D, ILE366B, ILE366D, ILE367B, ILE367D, LYS331B, LYS331D, LYS368B, LYS368D, MET365B, MET365D, PRO360B, PRO360D, THR328B, THR328D, THR359B, THR359D, THR361B, THR361D, VAL327B, VAL327D, VAL329B, VAL329D
• C-D: ALA271C, ALA271D, ALA285C, ALA285D, ARG270C, ARG270D, ASP198C, ASP198D, ASP210C, ASP210D, ASP267C, ASP267D, ASP282C, GLN201C, GLN201D, GLN202C, GLN202D, GLU260C, GLU260D, GLU277C, GLU277D, GLU280C, GLU280D, GLY205C, GLY205D, GLY211C, GLY211D, HIS206C, HIS206D, ILE266C, ILE266D, ILE278C, ILE278D, ILE281C, ILE281D, LEU207C, LEU207D, LEU276C, LEU276D, LYS213C, LYS213D, LYS286C, LYS286D, PRO283C, PRO283D, SER208C, SER208D, THR215C, THR215D, THR279C, THR279D, VAL209C, VAL209D, VAL268C, VAL284C, VAL284D