2VGK

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.: 43
  • Norm. En. per Res.: -1.3375
• 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	-6.7963	7.0815	-54.0386	-53.7534	43	0	3	2270	1	10	23
B-D	-2.9933	-7.1339	-47.3852	-57.5124	43	2	0	2318	6	17	23
C-D	0.0	7.4399	-5.9489	1.491	38	0	0	500	0	7	18

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, LEU324B, LEU63B, PRO79A, SER332B, SER77A, THR314B, THR319B, TRP273A, VAL325B, VAL342B, VAL62B, VAL85A
• B-D: ALA31D, ALA457B, ALA460B, ALA460D, ARG1B, ARG1D, ARG455B, ARG6B, ARG6D, ASP29B, ASP29D, GLN463B, GLU34B, GLU34D, GLU35D, GLU428B, GLU428D, GLU430D, GLU458B, GLU4B, GLU4D, GLU7D, GLY33D, GLY426D, GLY429D, GLY461B, GLY461D, HIS462B, LEU2B, LEU2D, LEU36B, LEU36D, LEU431D, LEU456D, LEU5D, PRO427B, PRO427D, THR32B, THR32D, THR3B, THR3D, TYR459B, TYR459D
• C-D: ALA105C, ALA108D, ALA111D, ALA112D, ALA280D, ALA285C, ALA285D, ALA31C, ALA370D, ALA373D, ALA378C, ASN256D, ASP281D, ASP387C, ASP66D, GLN374C, GLN374D, GLU101C, GLU109D, GLU160C, GLU286D, GLU289C, GLU289D, GLU428C, GLU430C, GLY426C, GLY429C, HIS462C, PHE162C, PHE389C, PRO371D, PRO425C, PRO427C, SER68D, THR283D, TRP372D, VAL278D, VAL292C