1OGK

the crystal structure of trypanosoma cruzi dutpase in complex with dudp

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-E
  • Int. Res.: 74
  • Norm. En. per Res.: -3.5347
• Hub Node: B(2)

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	-33.448	-31.3334	-349.444	-414.2255	143	27	5	16149	3	36	39
B-D	0.0	9.6196	-9.028	0.5915	14	1	0	335	0	9	15
B-E	-38.7258	4.5055	-227.347	-261.5674	74	9	8	9043	0	32	32
D-E	-34.3434	-34.0772	-421.176	-489.5966	161	22	3	18172	4	47	43

Interface residues

• A-B: ALA104A, ALA104B, ALA154A, ALA154B, ALA158A, ALA158B, ALA167A, ALA167B, ALA43A, ALA43B, ALA45A, ALA45B, ALA51A, ALA51B, ALA67A, ARG116A, ARG116B, ARG161A, ARG161B, ARG171A, ARG204B, ARG37A, ARG37B, ASN162A, ASN201B, ASN26A, ASN26B, ASN64A, ASP101A, ASP102B, ASP30A, ASP30B, ASP40A, ASP40B, ASP41A, ASP41B, ASP55A, ASP55B, ASP80B, CYS115A, CYS115B, GLN165A, GLN165B, GLN205B, GLN22B, GLU211B, GLU49A, GLU49B, GLU52A, GLU52B, GLY112A, GLY112B, GLY208B, GLY212B, HIS38A, HIS38B, ILE164A, ILE164B, ILE169A, ILE169B, ILE36A, ILE36B, ILE46A, ILE46B, ILE54A, ILE54B, LEU105A, LEU105B, LEU108A, LEU108B, LEU166A, LEU25B, LEU44A, LEU44B, LEU53A, LEU53B, LYS210B, LYS216B, LYS60A, LYS60B, LYS63A, LYS63B, LYS66A, MET111A, MET111B, MET29A, MET29B, MET48A, MET48B, PHE113A, PHE113B, PHE114A, PHE114B, PHE160A, PHE160B, PHE172A, PHE172B, PHE84A, PHE84B, PRO117A, PRO117B, PRO118A, PRO118B, PRO58A, PRO58B, SER107A, SER107B, SER168A, SER168B, SER50A, SER50B, SER56A, SER56B, SER87A, SER87B, THR47A, THR47B, TRP33A, TRP33B, TRP42A, TRP42B, TRP59A, TRP59B, TRP61A, TRP61B, TRP62A, TRP62B, TYR170A, TYR170B, TYR209B, TYR214B, TYR57A, TYR57B, VAL103A, VAL103B, VAL153A, VAL153B, VAL157A, VAL157B, VAL213B, VAL39A, VAL39B, VAL65A
• B-D: ARG218D, ARG267B, ARG268B, GLU219D, GLU225D, GLU264B, GLU265B, GLY220D, LYS207B, LYS63D, MET262B, PRO263B, TYR271B, VAL221D
• B-E: ALA259B, ALA259E, ARG204B, ARG204E, ARG218B, ARG218E, ASN224B, ASN224E, ASP223B, ASP223E, ASP258B, ASP258E, CYS230B, CYS230E, GLN205B, GLN205E, GLU211B, GLU211E, GLU219B, GLU219E, GLU222B, GLU222E, GLU225B, GLU225E, GLU229B, GLU229E, GLU266B, GLU266E, GLY208B, GLY208E, GLY212B, GLY212E, GLY220B, GLY220E, GLY261B, GLY261E, ILE203B, ILE203E, LEU200B, LEU200E, LEU206B, LEU206E, LEU226B, LEU226E, LEU227E, LYS207B, LYS207E, LYS210B, LYS210E, LYS216B, LYS216E, MET262B, MET262E, PHE257B, PHE257E, PHE260B, PHE260E, PRO263B, PRO263E, SER255E, TYR209B, TYR209E, TYR214B, TYR214E, VAL213B, VAL213E, VAL215B, VAL215E, VAL217B, VAL217E, VAL221B, VAL221E, VAL256B, VAL256E
• D-E: ALA104D, ALA104E, ALA154D, ALA154E, ALA158D, ALA158E, ALA167D, ALA167E, ALA43D, ALA43E, ALA45D, ALA45E, ALA51D, ALA51E, ALA67D, ALA67E, ARG116D, ARG116E, ARG161D, ARG161E, ARG204D, ARG204E, ARG37D, ARG37E, ASN162E, ASN201D, ASN201E, ASN26D, ASN26E, ASN64D, ASN64E, ASP30D, ASP30E, ASP40D, ASP40E, ASP41D, ASP41E, ASP55D, ASP55E, ASP80D, CYS115D, CYS115E, GLN165D, GLN165E, GLN205D, GLN205E, GLN22D, GLN22E, GLU110E, GLU211D, GLU211E, GLU49D, GLU49E, GLU52D, GLU52E, GLU77E, GLY112D, GLY112E, GLY208D, GLY208E, GLY212D, GLY212E, HIS38D, HIS38E, ILE164D, ILE164E, ILE169D, ILE169E, ILE36D, ILE36E, ILE46D, ILE46E, ILE54D, ILE54E, LEU105D, LEU105E, LEU108D, LEU108E, LEU166D, LEU166E, LEU25D, LEU25E, LEU44D, LEU44E, LEU53D, LEU53E, LYS106D, LYS106E, LYS109E, LYS210D, LYS210E, LYS216D, LYS216E, LYS60D, LYS60E, LYS63D, LYS63E, LYS66D, LYS66E, MET111D, MET111E, MET29D, MET29E, MET48D, MET48E, PHE113D, PHE113E, PHE114D, PHE114E, PHE160D, PHE160E, PHE172D, PHE172E, PHE84D, PHE84E, PRO117D, PRO117E, PRO118D, PRO118E, PRO58E, SER107D, SER107E, SER168D, SER168E, SER50D, SER50E, SER56D, SER56E, SER87D, SER87E, THR47D, THR47E, TRP33D, TRP33E, TRP42D, TRP42E, TRP59D, TRP59E, TRP61D, TRP61E, TRP62D, TRP62E, TYR170D, TYR170E, TYR209D, TYR209E, TYR214D, TYR214E, TYR57D, TYR57E, VAL103E, VAL153D, VAL153E, VAL157D, VAL157E, VAL213D, VAL213E, VAL39D, VAL39E, VAL65D, VAL65E