3LMT

crystal strucutre of dtd from plasmodium falciparum

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 158
  • Norm. En. per Res.: -4.8666
• Hub Node: A(4)

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	-209.2421	2.2566	-561.942	-768.9276	158	36	7	22210	0	37	45
A-C	0.0	10.9767	-22.7846	-11.8079	28	0	0	1059	0	19	20
A-D	0.0	2.7304	-54.1009	-51.3704	31	3	0	1988	0	14	12
A-F	0.0	0.0	-1.4602	-1.4602	14	0	0	172	0	12	11
B-C	0.0	0.0	-2.1008	-2.1008	11	0	1	327	0	4	6
B-D	0.0	0.0	-6.6503	-6.6503	8	0	0	205	0	4	4
C-D	-195.9609	5.8081	-519.475	-709.6279	154	34	7	20749	0	35	47
C-E	-8.2446	5.707	-33.9382	-36.4758	28	2	0	1701	0	23	15
C-F	-4.4106	-3.9975	-22.0515	-30.4596	31	2	0	1119	0	19	19
E-F	-220.9873	26.6565	-542.357	-736.6878	153	43	7	21419	0	36	48

Interface residues

• A-B: ALA11A, ALA11B, ARG16A, ARG2A, ARG2B, ARG57A, ARG57B, ARG63A, ARG63B, ARG7A, ARG7B, ASN139A, ASN139B, ASN142A, ASN142B, ASN147A, ASN147B, ASN161A, ASN161B, ASN61A, ASN61B, ASN66A, ASN66B, ASN75A, ASN75B, ASN94A, ASN94B, ASN99A, ASN99B, ASP102A, ASP102B, ASP144A, ASP144B, ASP148A, ASP148B, ASP156A, ASP156B, ASP159A, ASP159B, ASP73A, ASP73B, GLN6A, GLN6B, GLN88A, GLN88B, GLY10A, GLY10B, GLY135A, GLY135B, GLY138A, GLY149A, GLY149B, GLY93A, GLY93B, GLY98A, GLY98B, HIS158A, HIS158B, ILE12A, ILE12B, ILE143A, ILE143B, ILE153A, ILE153B, ILE155A, ILE155B, ILE160A, ILE160B, ILE38A, ILE38B, ILE5A, ILE5B, LEU13A, LEU13B, LEU27A, LEU27B, LEU41A, LEU41B, LEU60A, LEU60B, LEU62A, LEU62B, LEU64A, LEU64B, LEU91A, LEU91B, LYS100A, LYS100B, LYS136A, LYS136B, LYS58A, LYS58B, LYS70A, LYS70B, LYS74A, LYS74B, LYS77A, LYS77B, LYS96A, LYS96B, LYS97A, LYS97B, LYS9A, LYS9B, MET141A, MET141B, PHE103A, PHE103B, PHE40A, PHE40B, PHE89A, PHE89B, PHE92A, PHE92B, PRO101A, PRO101B, PRO150A, PRO150B, SER14A, SER14B, SER87A, SER87B, THR146A, THR146B, THR152A, THR152B, THR157A, THR157B, THR71A, THR71B, THR90A, THR90B, THR95A, THR95B, TRP65A, TRP65B, TRP72A, TRP72B, TYR140A, TYR140B, TYR154A, TYR154B, TYR54A, TYR54B, VAL145A, VAL145B, VAL151A, VAL151B, VAL15A, VAL15B, VAL3A, VAL3B, VAL4A, VAL4B, VAL86A, VAL86B, VAL8A, VAL8B
• A-C: ARG16C, ASN110A, ASN139C, ASN19C, ASN23C, ASN46A, ASN94A, ASP102A, GLU108A, GLU18C, GLU22C, GLU24C, GLU26C, GLY138C, GLY21C, GLY98A, HIS104A, ILE20C, LEU105A, LYS100C, LYS17C, LYS45A, LYS96A, LYS97A, PHE103A, PRO109A, THR95A, TYR140C
• A-D: ALA106A, ALA112A, ASN110A, ASN66D, ASN67D, ASN69D, ASP102A, ASP68D, ASP73D, GLN88A, GLU108A, GLU111A, GLY138A, HIS104A, ILE43A, LEU105A, LEU113A, LYS100A, LYS107A, LYS45A, LYS70D, PHE103A, PHE137A, PHE89A, PHE92A, PRO101A, PRO109A, SER87A, THR71D, THR90A, TRP72D
• A-F: ASN128F, ASP121F, ASP129F, GLN126F, GLU122F, GLU50A, LEU53A, LYS118A, LYS124F, LYS125A, LYS125F, THR48A, TRP49A, TYR127F
• B-C: ARG57B, ASN161B, ASN19C, ASN23C, ASP159B, GLU22C, GLY21C, ILE160B, ILE20C, LYS58B, TYR54B
• B-D: ASN67D, ASN69B, ASN69D, ASP68D, ASP78D, LYS74D, THR71B, TRP72B
• C-D: ALA11C, ALA11D, ARG16C, ARG16D, ARG2C, ARG2D, ARG57C, ARG57D, ARG63C, ARG63D, ARG7C, ARG7D, ASN139C, ASN139D, ASN142C, ASN142D, ASN147C, ASN147D, ASN61C, ASN61D, ASN66C, ASN66D, ASN67D, ASN75C, ASN75D, ASN94C, ASN94D, ASN99C, ASN99D, ASP102C, ASP102D, ASP144C, ASP144D, ASP148C, ASP148D, ASP156C, ASP156D, ASP159C, ASP159D, ASP73C, ASP73D, ASP78D, GLN6C, GLN6D, GLN88C, GLN88D, GLY10C, GLY10D, GLY135C, GLY135D, GLY149C, GLY149D, GLY93C, GLY93D, GLY98C, GLY98D, HIS158D, ILE12C, ILE12D, ILE143C, ILE143D, ILE153C, ILE153D, ILE155C, ILE155D, ILE160C, ILE160D, ILE38C, ILE38D, ILE5C, ILE5D, LEU13C, LEU13D, LEU27C, LEU27D, LEU41C, LEU41D, LEU60C, LEU60D, LEU62C, LEU62D, LEU64C, LEU64D, LEU84D, LEU91C, LEU91D, LYS100C, LYS100D, LYS136C, LYS136D, LYS58C, LYS58D, LYS70D, LYS74C, LYS74D, LYS96C, LYS96D, LYS97C, LYS97D, LYS9C, LYS9D, MET141C, MET141D, PHE103C, PHE103D, PHE40C, PHE40D, PHE89C, PHE89D, PHE92C, PHE92D, PRO101C, PRO101D, PRO150C, PRO150D, SER14C, SER14D, SER87C, SER87D, THR146C, THR146D, THR152C, THR152D, THR157D, THR71C, THR71D, THR90C, THR90D, THR95C, THR95D, TRP65C, TRP65D, TRP72C, TRP72D, TYR140C, TYR140D, TYR154C, TYR154D, TYR54C, TYR54D, VAL145C, VAL145D, VAL151C, VAL151D, VAL15C, VAL15D, VAL3C, VAL3D, VAL4C, VAL4D, VAL86C, VAL86D, VAL8C, VAL8D
• C-E: ALA112C, ALA52C, ASN110C, ASN46C, ASN94E, ASN99E, ASP102E, ASP47C, GLU108C, GLU111C, GLU122C, GLU50C, GLY98E, HIS104E, HIS44C, ILE114C, ILE119C, LEU53C, LYS100E, LYS107C, LYS118C, LYS45C, LYS96E, LYS97E, PHE115C, THR48C, THR95E, TRP49C
• C-F: ARG57F, ARG63F, ASN110C, ASN46C, ASN61F, ASN67F, ASN75F, ASP47C, ASP73F, ASP78F, GLN126F, GLU108C, GLU111C, HIS104C, HIS44C, ILE114C, LEU105C, LEU113C, LEU62F, LYS107C, LYS45C, LYS58F, LYS70F, LYS74F, LYS77F, PHE115C, PRO109C, THR48C, THR71F, TRP72F, TYR54F
• E-F: ALA11E, ALA11F, ARG16E, ARG2E, ARG2F, ARG57E, ARG57F, ARG63E, ARG63F, ARG7E, ARG7F, ASN139E, ASN139F, ASN142E, ASN142F, ASN147E, ASN147F, ASN61E, ASN61F, ASN66E, ASN66F, ASN67E, ASN75E, ASN75F, ASN94E, ASN94F, ASN99E, ASN99F, ASP102E, ASP102F, ASP144E, ASP144F, ASP148E, ASP148F, ASP156E, ASP156F, ASP159E, ASP159F, ASP73E, ASP73F, CYS59F, GLN6E, GLN6F, GLN88E, GLN88F, GLY10E, GLY10F, GLY135E, GLY135F, GLY149E, GLY149F, GLY93E, GLY93F, GLY98E, GLY98F, ILE12E, ILE12F, ILE143E, ILE143F, ILE153E, ILE153F, ILE155E, ILE155F, ILE160E, ILE38E, ILE38F, ILE5E, ILE5F, LEU13E, LEU13F, LEU27E, LEU27F, LEU41E, LEU41F, LEU60E, LEU60F, LEU62E, LEU62F, LEU64E, LEU64F, LEU91E, LEU91F, LYS100E, LYS100F, LYS136E, LYS136F, LYS58E, LYS58F, LYS70E, LYS70F, LYS74E, LYS74F, LYS77F, LYS96E, LYS96F, LYS97E, LYS97F, LYS9E, LYS9F, MET141E, MET141F, PHE103E, PHE103F, PHE40E, PHE40F, PHE89E, PHE89F, PHE92E, PHE92F, PRO101E, PRO101F, PRO150E, PRO150F, SER14E, SER14F, SER87E, SER87F, THR146E, THR146F, THR152E, THR152F, THR157E, THR157F, THR71E, THR71F, THR90E, THR90F, THR95E, THR95F, TRP65E, TRP65F, TRP72E, TRP72F, TYR140E, TYR140F, TYR154E, TYR154F, TYR54E, TYR54F, VAL145E, VAL145F, VAL151E, VAL151F, VAL15E, VAL15F, VAL3E, VAL3F, VAL4E, VAL4F, VAL86E, VAL86F, VAL8E, VAL8F