2VGJ

crystal structure of actinomadura r39 dd-peptidase complexed with a peptidoglycan-mimetic cephalosporin

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 42
  • Norm. En. per Res.: -2.208
• Hub Node: A(1)

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	-7.6478	10.419	-52.3158	-49.5446	42	1	2	2138	1	9	22
B-D	-15.1177	-43.5532	-34.0668	-92.7378	42	3	0	1929	3	18	24
C-D	-10.6462	4.4491	-9.8089	-16.006	34	1	0	563	0	6	13

Interface residues

• A-B: ALA276A, ALA315B, ALA317B, ALA322B, ALA75A, ALA78A, ARG119A, ARG81A, ARG82A, ASP136B, ASP272A, ASP275A, ASP321B, ASP87A, GLN274A, GLN312B, GLN86A, GLU277A, GLU313B, GLU328B, GLU329B, GLU61B, GLU76A, GLU84A, GLY311B, GLY316B, GLY323B, GLY326B, GLY333B, GLY80A, GLY83A, LEU63B, PRO79A, SER332B, SER77A, THR314B, THR319B, TRP273A, VAL325B, VAL342B, VAL62B, VAL85A
• B-D: ALA31D, ALA457B, ALA460B, ALA460D, ARG1B, ARG1D, ARG455B, ARG6D, ASP29D, GLN463B, GLU34B, GLU34D, GLU35D, GLU428B, GLU428D, GLU430D, GLU458B, GLU4B, GLU4D, GLU7D, GLY33D, GLY426D, GLY429D, GLY461B, HIS462B, LEU2B, LEU2D, LEU36B, LEU36D, LEU431D, PRO425D, PRO427B, PRO427D, THR30D, THR32B, THR32D, THR3B, THR3D, TYR459B, TYR459D, VAL28D, VAL424D
• C-D: ALA105C, ALA108D, ALA111D, ALA112D, ALA285C, ALA285D, ALA378C, ASN256D, ASP281D, ASP387C, ASP66D, GLN374C, GLU101C, GLU109D, GLU286D, GLU289C, GLU289D, GLU428C, GLU430C, GLU72D, GLY114D, GLY426C, GLY429C, HIS282D, HIS462C, PHE389C, PRO371D, PRO425C, PRO427C, SER113D, SER68D, THR283D, VAL278D, VAL292C