2TSR

thymidylate synthase from rat in ternary complex with dump and tomudex

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 61
  • Norm. En. per Res.: -3.4287
• 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	-31.3996	63.0537	-619.533	-587.8789	195	25	14	23598	7	52	53
B-D	-27.3037	-43.6913	-138.153	-209.148	61	5	2	6148	4	39	39
C-D	-43.5414	79.6589	-635.565	-599.4475	192	19	14	24104	3	53	52

Interface residues

• A-B: ALA138A, ALA138B, ALA175A, ALA175B, ALA185A, ALA185B, ALA191A, ALA191B, ALA249A, ALA249B, ALA57A, ALA57B, ARG169A, ARG169B, ARG170A, ARG170B, ARG209A, ARG209B, ARG44A, ARG44B, ARG58A, ARG58B, ARG62A, ARG62B, ASN106A, ASN106B, ASN165A, ASN165B, ASN177A, ASN177B, ASN199A, ASN199B, ASP139A, ASP139B, ASP153A, ASP153B, ASP167A, ASP167B, ASP168A, ASP168B, ASP180A, ASP180B, ASP212A, ASP212B, ASP241A, ASP241B, ASP248A, ASP248B, ASP43A, ASP43B, CYS174A, CYS174B, CYS189A, CYS189B, CYS193A, CYS193B, CYS204A, CYS204B, GLN132A, GLN132B, GLN154A, GLN154B, GLN194A, GLN194B, GLN205A, GLN205B, GLN208A, GLN208B, GLN30A, GLN30B, GLN56A, GLN56B, GLU201A, GLU201B, GLU42A, GLU42B, GLY137A, GLY137B, GLY151A, GLY151B, GLY211A, GLY211B, GLY240B, GLY247A, GLY247B, GLY38A, GLY38B, GLY46A, GLY46B, GLY48A, GLY48B, GLY54A, GLY54B, HIS135A, HIS135B, HIS244A, HIS244B, HIS250A, HIS250B, HIS33A, HIS33B, ILE171A, ILE171B, ILE172A, ILE172B, ILE251A, ILE251B, LEU115A, LEU115B, LEU181A, LEU181B, LEU186A, LEU186B, LEU192A, LEU192B, LEU202A, LEU202B, LEU206A, LEU206B, LEU246A, LEU246B, LEU50A, LEU50B, LYS157A, LYS157B, LYS179A, LYS179B, LYS40A, LYS40B, LYS41A, LYS41B, MET173A, MET173B, MET184A, MET184B, MET55A, MET55B, PHE111A, PHE111B, PHE136A, PHE136B, PHE195A, PHE195B, PHE242A, PHE242B, PHE39A, PHE39B, PHE53A, PHE53B, PRO166A, PRO166B, PRO178A, PRO178B, PRO182A, PRO182B, PRO187A, PRO187B, PRO188A, PRO188B, SER203A, SER203B, SER210A, SER210B, SER51A, SER51B, THR228B, THR245A, THR245B, THR45A, THR45B, THR47A, THR47B, THR49A, THR49B, TRP133A, TRP133B, TRP176A, TRP176B, TYR196A, TYR196B, TYR207A, TYR207B, TYR252A, TYR252B, VAL152A, VAL152B, VAL158B, VAL197A, VAL197B, VAL198A, VAL198B, VAL243A, VAL243B, VAL52A, VAL52B
• B-D: ARG274B, ARG274D, ARG277D, ARG72B, ASN296B, ASP284D, ASP289B, ASP289D, ASP63D, GLN291B, GLN291D, GLU280D, GLU288B, GLU288D, GLU293B, GLU293D, GLU80B, GLY294B, GLY294D, GLY77B, GLY99B, HIS233D, ILE275D, ILE292B, ILE292D, LEU273B, LEU273D, LEU276B, LEU276D, LEU67B, LEU79B, LEU79D, LEU83B, LEU95B, LYS272B, LYS272D, LYS278D, LYS286B, LYS286D, LYS76B, LYS98B, PHE285D, PHE290B, PHE290D, PHE74B, PRO271B, PRO297B, PRO299B, SER97B, THR281D, THR300B, TRP75B, TRP75D, TYR295B, TYR295D, VAL100B, VAL279D, VAL287B, VAL287D, VAL73B, VAL78B
• C-D: ALA138C, ALA138D, ALA175C, ALA175D, ALA185C, ALA185D, ALA191C, ALA191D, ALA249C, ALA249D, ALA57C, ALA57D, ARG169C, ARG169D, ARG170C, ARG170D, ARG209C, ARG209D, ARG44C, ARG44D, ARG58C, ARG58D, ARG62C, ARG62D, ASN106C, ASN106D, ASN165C, ASN165D, ASN177C, ASN177D, ASN199C, ASN199D, ASP139C, ASP139D, ASP153C, ASP153D, ASP167C, ASP167D, ASP168C, ASP168D, ASP180C, ASP180D, ASP212C, ASP212D, ASP241C, ASP241D, ASP248C, ASP248D, ASP43C, ASP43D, CYS174C, CYS174D, CYS189C, CYS189D, CYS193C, CYS193D, CYS204C, CYS204D, GLN132C, GLN132D, GLN154C, GLN154D, GLN194C, GLN194D, GLN205C, GLN205D, GLN208C, GLN208D, GLN30C, GLN30D, GLN56C, GLN56D, GLU201C, GLU201D, GLU42C, GLU42D, GLY137C, GLY137D, GLY151C, GLY151D, GLY211C, GLY211D, GLY247C, GLY247D, GLY38C, GLY38D, GLY46C, GLY46D, GLY48C, GLY48D, GLY54C, GLY54D, HIS244C, HIS244D, HIS250C, HIS250D, HIS33C, HIS33D, ILE171C, ILE171D, ILE172C, ILE172D, ILE251C, ILE251D, ILE34C, LEU115C, LEU115D, LEU181C, LEU181D, LEU186C, LEU186D, LEU192C, LEU192D, LEU202C, LEU202D, LEU206C, LEU206D, LEU246C, LEU246D, LEU50C, LEU50D, LYS157C, LYS157D, LYS179C, LYS179D, LYS40C, LYS40D, LYS41C, LYS41D, MET173C, MET173D, MET184C, MET55C, MET55D, PHE111C, PHE111D, PHE136C, PHE136D, PHE195C, PHE195D, PHE242C, PHE242D, PHE39C, PHE39D, PHE53C, PHE53D, PRO166C, PRO166D, PRO178C, PRO178D, PRO182C, PRO182D, PRO187C, PRO187D, PRO188C, PRO188D, SER203C, SER203D, SER210C, SER210D, SER51C, SER51D, THR245C, THR245D, THR45C, THR45D, THR47C, THR47D, THR49C, THR49D, TRP133C, TRP133D, TRP176C, TRP176D, TYR196C, TYR196D, TYR207C, TYR207D, TYR252C, TYR252D, VAL152C, VAL152D, VAL158C, VAL158D, VAL197C, VAL197D, VAL198C, VAL198D, VAL243C, VAL243D, VAL52C, VAL52D