3K2H

co-crystal structure of dihydrofolate reductase/thymidylate synthase from babesia bovis with dump, pemetrexed and nadp

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 321
  • Norm. En. per Res.: -3.2499
• 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	-133.0883	77.8423	-987.981	-1043.227	321	33	12	35919	2	73	77

Interface residues

• A-B: ALA167A, ALA167B, ALA253A, ALA253B, ALA342A, ALA342B, ALA389A, ALA389B, ALA451A, ALA451B, ALA453A, ALA453B, ALA511A, ALA511B, ARG222A, ARG222B, ARG224A, ARG224B, ARG248A, ARG248B, ARG262A, ARG262B, ARG267A, ARG267B, ARG365A, ARG365B, ARG373A, ARG373B, ARG374A, ARG374B, ARG39A, ARG39B, ARG413A, ARG413B, ARG42A, ARG42B, ASN225A, ASN225B, ASN247A, ASN247B, ASN310A, ASN310B, ASN319A, ASN319B, ASN369A, ASN369B, ASN371A, ASN371B, ASN381A, ASN381B, ASN404A, ASN404B, ASN43A, ASN43B, ASN449A, ASN449B, ASN61B, ASP180A, ASP180B, ASP199A, ASP199B, ASP207A, ASP207B, ASP237A, ASP237B, ASP252A, ASP252B, ASP357A, ASP357B, ASP372A, ASP372B, ASP37B, ASP384A, ASP384B, ASP403A, ASP403B, ASP416A, ASP416B, ASP452A, ASP452B, CYS378A, CYS378B, CYS393A, CYS393B, CYS395A, CYS395B, CYS408A, CYS408B, CYS415A, CYS415B, GLN200A, GLN200B, GLN260A, GLN260B, GLN336A, GLN336B, GLN358A, GLN358B, GLN398A, GLN398B, GLN412A, GLN412B, GLU185A, GLU185B, GLU361A, GLU361B, GLU445A, GLU445B, GLY205A, GLY205B, GLY242A, GLY242B, GLY250A, GLY250B, GLY258A, GLY258B, GLY341A, GLY341B, GLY355A, GLY355B, GLY444A, GLY444B, GLY44A, GLY44B, HIS226A, HIS226B, HIS241A, HIS241B, HIS36A, HIS36B, HIS394A, HIS394B, HIS411A, HIS411B, HIS448A, HIS448B, HIS454A, HIS454B, ILE141A, ILE141B, ILE165A, ILE165B, ILE168A, ILE168B, ILE183A, ILE183B, ILE208A, ILE208B, ILE223A, ILE223B, ILE356A, ILE356B, ILE362A, ILE362B, ILE376A, ILE376B, ILE455A, ILE455B, ILE48A, ILE48B, LEU143A, LEU143B, LEU201A, LEU201B, LEU202A, LEU202B, LEU244A, LEU244B, LEU375A, LEU375B, LEU385A, LEU385B, LEU390A, LEU390B, LEU406A, LEU406B, LEU417A, LEU417B, LEU41A, LEU41B, LEU450A, LEU450B, LYS119A, LYS119B, LYS140A, LYS140B, LYS245A, LYS245B, LYS256A, LYS256B, LYS386A, LYS386B, LYS387A, LYS387B, LYS405A, LYS405B, MET203A, MET203B, MET261A, MET261B, MET388A, MET388B, MET409A, MET409B, MET410A, MET410B, PHE121A, PHE121B, PHE14A, PHE14B, PHE172A, PHE172B, PHE181A, PHE181B, PHE198A, PHE198B, PHE257A, PHE257B, PHE315A, PHE315B, PHE321B, PHE340A, PHE340B, PHE396A, PHE396B, PHE397A, PHE397B, PHE399A, PHE399B, PHE40A, PHE40B, PHE446A, PHE446B, PRO170A, PRO170B, PRO196A, PRO196B, PRO197A, PRO197B, PRO246A, PRO246B, PRO370A, PRO370B, PRO391A, PRO391B, PRO392A, PRO392B, PRO49A, PRO49B, PRO50A, PRO50B, SER169A, SER169B, SER209A, SER209B, SER255A, SER255B, SER379A, SER379B, SER383A, SER383B, SER402A, SER402B, SER407A, SER407B, SER414A, SER414B, SER510A, SER510B, THR144A, THR144B, THR166A, THR166B, THR204A, THR204B, THR206A, THR206B, THR249A, THR249B, THR251A, THR251B, THR432B, THR45A, THR45B, THR46A, THR46B, TRP337A, TRP337B, TRP380A, TRP380B, TYR142A, TYR142B, TYR179A, TYR179B, TYR184A, TYR184B, TYR254A, TYR254B, TYR259A, TYR259B, TYR400A, TYR400B, TYR456A, TYR456B, TYR47A, TYR47B, VAL182A, VAL182B, VAL221B, VAL238A, VAL238B, VAL243A, VAL243B, VAL377A, VAL377B, VAL382A, VAL382B, VAL401A, VAL401B, VAL447A, VAL447B