1LS5

crystal structure of plasmepsin iv from p. falciparum in complex with pepstatin a

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 52
  • Norm. En. per Res.: -2.2216
• 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	-21.4161	66.7753	-188.1	-142.7408	138	28	10	10661	2	20	42
A-C	-32.8507	0.0	-82.6747	-115.5254	52	9	6	3365	0	0	0
A-D	0.0	0.0	-2.2722	-2.2722	8	0	0	159	0	0	0
B-C	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
B-D	-17.257	0.0	-76.4196	-93.6766	50	7	6	3207	0	0	0

Interface residues

• A-B: ALA108A, ALA12A, ALA12B, ALA283A, ALA283B, ARG83A, ARG83B, ASN13A, ASN13B, ASN228A, ASP107A, ASP107B, ASP109A, ASP109B, ASP10A, ASP110A, ASP110B, ASP162A, ASP275A, ASP279A, ASP279B, ASP281A, ASP281B, ASP293A, ASP293B, ASP295A, ASP295B, ASP296B, ASP48B, CYS285A, CYS285B, GLU112A, GLU112B, GLU119A, GLU119B, GLU74A, GLU74B, GLY117A, GLY117B, GLY51A, GLY51B, GLY78A, GLY78B, GLY80A, GLY80B, HIS161A, HIS161B, ILE114A, ILE114B, ILE237A, ILE237B, ILE280A, ILE280B, ILE294A, ILE294B, ILE50A, ILE50B, ILE75A, ILE75B, LEU111A, LEU111B, LEU14A, LEU14B, LEU242A, LEU242B, LEU244A, LEU244B, LEU277A, LEU277B, LEU284A, LEU284B, LEU290A, LYS238A, LYS238B, LYS55B, LYS72B, MET15A, MET15B, MET286A, MET286B, PHE120B, PHE16B, PHE241A, PHE241B, PRO113A, PRO113B, PRO223A, PRO240A, PRO240B, PRO243A, PRO243B, PRO276A, PRO282A, PRO282B, PRO291A, PRO291B, SER116A, SER116B, SER118A, SER118B, SER218B, SER225B, SER278A, SER278B, SER49B, SER53A, SER53B, SER76A, SER76B, SER79A, SER79B, THR224A, THR224B, THR247A, THR247B, THR54A, THR54B, THR81A, THR81B, TYR115A, TYR115B, TYR17A, TYR17B, TYR245B, TYR288A, TYR288B, TYR77A, TYR77B, VAL11A, VAL11B, VAL239A, VAL239B, VAL246A, VAL246B, VAL292A, VAL292B, VAL82A, VAL82B
• A-C: ALA38A, ALA5C, ASN39A, ASP214A, ASP293A, ASP303A, ASP34A, GLU119A, GLY125A, GLY216A, GLY302A, GLY36A, GLY78A, GLY80A, ILE114A, ILE123A, ILE133A, ILE220A, ILE294A, ILE300A, ILE32A, ILE75A, LEU111A, LEU131A, LEU14A, LEU242A, LEU290A, MET15A, PHE120A, PHE16A, PRO113A, PRO243A, PRO291A, SER118A, SER132A, SER215A, SER218A, SER37A, SER76A, SER79A, THR217A, THR219A, THR221A, THR35A, TYR115A, TYR17A, TYR192A, TYR77A, VAL212A, VAL292A, VAL2C, VAL3C
• A-D: ALA353D, ASP109A, GLU112A, LEU242A, PHE241A, PRO113A, VAL350D, VAL351D
• B-C: PRO113B, VAL3C
• B-D: ALA353D, ALA38B, ASN39B, ASP214B, ASP293B, ASP303B, ASP34B, GLY125B, GLY216B, GLY302B, GLY36B, GLY78B, GLY80B, ILE114B, ILE123B, ILE133B, ILE220B, ILE294B, ILE300B, ILE32B, ILE75B, LEU111B, LEU131B, LEU14B, LEU290B, MET15B, PHE120B, PHE16B, PRO291B, SER118B, SER132B, SER215B, SER218B, SER37B, SER76B, SER79B, THR217B, THR219B, THR221B, THR35B, THR81B, TYR115B, TYR17B, TYR192B, TYR288B, TYR77B, VAL212B, VAL292B, VAL350D, VAL351D