1LRT

crystal structure of ternary complex of tritrichomonas foetus inosine-5'-monophosphate dehydrogenase: structural characterization of nad+ site in microbial enzyme

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 128
  • Norm. En. per Res.: -4.5612
• 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	-147.0149	-18.9454	-408.051	-574.0113	130	13	11	15554	3	25	18
A-C	0.0	0.0	-0.0942	-0.0942	4	0	0	24	0	0	0
A-D	-140.986	-17.1093	-436.016	-594.1113	133	23	11	16277	3	25	20
B-C	-148.4677	-9.755	-425.613	-583.8357	128	26	11	15623	3	21	16
B-D	0.0	0.0	-0.0918	-0.0918	4	0	0	19	0	0	0
C-D	-141.5459	-16.584	-420.118	-578.2479	128	17	11	15443	3	22	16

Interface residues

• A-B: ALA2A, ALA332B, ALA334A, ALA340B, ALA372B, ALA473B, ARG241A, ARG329A, ASN13A, ASN13B, ASN291A, ASN343B, ASN452B, ASN460B, ASN6A, ASP25B, ASP264A, ASP294A, ASP337A, ASP364B, CYS26B, CYS319A, CYS459B, CYS461B, CYS9A, GLN270A, GLN324A, GLN331A, GLN468B, GLN470B, GLU14A, GLU14B, GLU268A, GLU296A, GLU323A, GLU430A, GLU431A, GLU485A, GLU485B, GLU7A, GLU7B, GLY20B, GLY265A, GLY295A, GLY297A, GLY314A, GLY315A, GLY326A, GLY328A, GLY330A, GLY374B, GLY462B, HIS10A, HIS10B, HIS366B, ILE18B, ILE272A, ILE27B, ILE292A, ILE313A, ILE327A, ILE336B, ILE475B, ILE483A, ILE483B, LEU16B, LEU17B, LEU21B, LEU301A, LEU369B, LEU371B, LEU469B, LEU477A, LEU477B, LYS271A, LYS325A, LYS3A, LYS453B, LYS455B, LYS472B, LYS474B, MET373B, MET458B, PHE12A, PHE266A, PHE298A, PRO19B, PRO28B, PRO467B, PRO8A, SER22B, SER262A, SER263A, SER267A, SER456B, SER471B, SER479A, SER479B, SER480A, SER480B, SER482A, SER482B, THR11A, THR23B, THR240A, THR333A, THR333B, THR368B, THR457B, THR476B, TRP269A, TYR15A, TYR15B, TYR300A, TYR363B, TYR365B, TYR4A, TYR5A, VAL24B, VAL293A, VAL335B, VAL339B, VAL362A, VAL454B, VAL478A, VAL478B, VAL481A, VAL481B, VAL484A, VAL484B
• A-C: SER480A, SER480C, VAL484A, VAL484C
• A-D: ALA2D, ALA332A, ALA332D, ALA334D, ALA340A, ALA372A, ALA473A, ARG241D, ARG322D, ARG329D, ASN13A, ASN13D, ASN291D, ASN343A, ASN452A, ASN460A, ASN6D, ASP25A, ASP264D, ASP294D, ASP337A, ASP337D, ASP364A, CYS26A, CYS459A, CYS461A, CYS9D, GLN270D, GLN324D, GLN331D, GLN468A, GLN470A, GLU14A, GLU14D, GLU268D, GLU296D, GLU323D, GLU431D, GLU485A, GLU485D, GLU7A, GLU7D, GLY20A, GLY265D, GLY295D, GLY297D, GLY314D, GLY326D, GLY328D, GLY330D, GLY374A, GLY462A, HIS10A, HIS10D, HIS366A, ILE18A, ILE272D, ILE27A, ILE292D, ILE313D, ILE320D, ILE327D, ILE336A, ILE475A, ILE483A, ILE483D, LEU16A, LEU17A, LEU21A, LEU301D, LEU369A, LEU371A, LEU469A, LEU477A, LEU477D, LYS271D, LYS325D, LYS3D, LYS453A, LYS455A, LYS472A, LYS474A, MET373A, MET458A, PHE12D, PHE266D, PHE298D, PRO19A, PRO28A, PRO467A, PRO8D, SER22A, SER262D, SER263D, SER267D, SER450A, SER456A, SER471A, SER479A, SER479D, SER480A, SER480D, SER482A, SER482D, THR11D, THR23A, THR240D, THR321D, THR333A, THR333D, THR368A, THR457A, THR476A, TRP269D, TYR15A, TYR15D, TYR300D, TYR363A, TYR365A, TYR4D, TYR5D, VAL24A, VAL293D, VAL335A, VAL339A, VAL362A, VAL454A, VAL478A, VAL478D, VAL481A, VAL481D, VAL484A, VAL484D
• B-C: ALA2B, ALA332C, ALA334B, ALA340C, ALA370C, ALA372C, ALA473C, ARG241B, ARG329B, ASN13B, ASN13C, ASN291B, ASN343C, ASN452C, ASN460C, ASN6B, ASP25C, ASP264B, ASP294B, ASP337B, ASP364C, CYS26C, CYS459C, CYS461C, CYS9B, GLN270B, GLN324B, GLN331B, GLN468C, GLN470C, GLU14B, GLU14C, GLU268B, GLU296B, GLU323B, GLU485B, GLU485C, GLU7B, GLU7C, GLY20C, GLY265B, GLY295B, GLY297B, GLY314B, GLY326B, GLY328B, GLY330B, GLY374C, GLY462C, HIS10B, HIS10C, HIS366C, ILE18C, ILE272B, ILE27C, ILE292B, ILE313B, ILE327B, ILE336C, ILE475C, ILE483B, ILE483C, LEU16C, LEU17C, LEU21C, LEU301B, LEU369C, LEU371C, LEU469C, LEU477B, LEU477C, LYS271B, LYS325B, LYS3B, LYS453C, LYS455C, LYS472C, LYS474C, MET373C, MET458C, PHE12B, PHE12C, PHE266B, PHE298B, PRO19C, PRO28C, PRO467C, PRO8B, SER22C, SER262B, SER263B, SER267B, SER456C, SER471C, SER479B, SER479C, SER480B, SER480C, SER482B, SER482C, THR11B, THR23C, THR240B, THR333B, THR333C, THR368C, THR457C, THR476C, TRP269B, TYR15B, TYR15C, TYR300B, TYR363C, TYR365C, TYR4B, TYR5B, VAL24C, VAL293B, VAL335C, VAL339C, VAL362B, VAL454C, VAL478B, VAL478C, VAL481B, VAL481C, VAL484B, VAL484C
• B-D: SER480B, SER480D, VAL484B, VAL484D
• C-D: ALA2C, ALA332C, ALA332D, ALA334C, ALA340D, ALA372D, ALA473D, ARG241C, ARG329C, ASN13C, ASN13D, ASN291C, ASN343D, ASN452D, ASN460D, ASN6C, ASP25D, ASP264C, ASP294C, ASP337C, ASP337D, ASP364D, CYS26D, CYS459D, CYS461D, CYS9C, GLN270C, GLN324C, GLN331C, GLN468D, GLN470D, GLU14C, GLU14D, GLU268C, GLU296C, GLU323C, GLU485C, GLU485D, GLU7C, GLU7D, GLY20D, GLY265C, GLY295C, GLY297C, GLY314C, GLY326C, GLY328C, GLY330C, GLY374D, GLY462D, HIS10C, HIS10D, HIS366D, ILE18D, ILE272C, ILE27D, ILE292C, ILE313C, ILE327C, ILE336D, ILE475D, ILE483C, ILE483D, LEU16D, LEU17D, LEU21D, LEU301C, LEU369D, LEU371D, LEU469D, LEU477C, LEU477D, LYS271C, LYS325C, LYS3C, LYS453D, LYS455D, LYS472D, LYS474D, MET373D, MET458D, PHE12C, PHE266C, PHE298C, PRO19D, PRO28D, PRO467D, PRO8C, SER22D, SER262C, SER263C, SER267C, SER456D, SER471D, SER479C, SER479D, SER480C, SER480D, SER482C, SER482D, THR11C, THR23D, THR240C, THR333C, THR333D, THR368D, THR457D, THR476D, TRP269C, TYR15C, TYR15D, TYR300C, TYR363D, TYR365D, TYR4C, TYR5C, VAL24D, VAL293C, VAL335D, VAL339D, VAL362C, VAL454D, VAL478C, VAL478D, VAL481C, VAL481D, VAL484C, VAL484D