3RHO

crystal structure of the e673q mutant of c-terminal domain of 10'formyltetrahydrofolate dehydrogenase in complex with nadp

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 256
  • Norm. En. per Res.: -4.0885
• 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	-284.1009	-30.2137	-732.335	-1046.6496	256	30	21	30605	11	61	75
A-C	-37.0183	-32.6355	-310.12	-379.7738	127	10	10	11461	13	39	42
A-D	-79.7468	14.0545	-273.195	-338.8873	109	11	5	11259	0	19	24
B-C	-67.803	5.5499	-275.988	-338.2411	105	10	5	11345	0	18	23
B-D	-41.7941	-43.6	-315.665	-401.0591	125	9	10	11531	11	39	40
C-D	-290.2737	-17.2069	-742.969	-1050.4496	259	38	21	30855	10	63	76

Interface residues

• A-B: ALA543A, ALA543B, ALA550A, ALA550B, ALA663A, ALA663B, ALA835A, ALA835B, ALA846A, ALA846B, ALA855A, ALA855B, ALA869A, ALA869B, ALA870A, ALA870B, ALA887A, ALA887B, ALA888A, ARG551A, ARG551B, ARG554A, ARG554B, ARG644A, ARG644B, ARG894A, ARG894B, ASN548A, ASN548B, ASN553A, ASN553B, ASN555A, ASN555B, ASN666A, ASN666B, ASN828A, ASN828B, ASN861A, ASN861B, ASN864A, ASN864B, ASN890A, ASN890B, ASP642A, ASP642B, ASP851A, ASP851B, ASP867A, ASP867B, CYS662A, CYS662B, GLN528A, GLN528B, GLN549A, GLN549B, GLN673A, GLN673B, GLN693A, GLN693B, GLN854A, GLN854B, GLN877A, GLN877B, GLU473A, GLU473B, GLU562A, GLU562B, GLU653A, GLU653B, GLU831A, GLU831B, GLU886A, GLU886B, GLU891A, GLU891B, GLU901A, GLU901B, GLY478A, GLY478B, GLY655A, GLY655B, GLY675A, GLY675B, GLY833A, GLY833B, GLY837A, GLY837B, GLY856A, GLY856B, GLY873A, GLY873B, GLY874A, GLY874B, GLY879A, GLY879B, GLY881A, GLY881B, GLY885A, GLY885B, HIS657A, HIS657B, ILE545A, ILE545B, ILE547A, ILE547B, ILE646A, ILE646B, ILE658A, ILE658B, ILE843A, ILE843B, ILE860A, ILE860B, ILE895A, ILE895B, LEU556A, LEU556B, LEU558A, LEU558B, LEU664A, LEU664B, LEU672A, LEU672B, LEU674A, LEU674B, LEU824A, LEU834A, LEU834B, LEU847A, LEU847B, LEU853A, LEU853B, LEU884A, LEU884B, LEU893A, LEU893B, LYS479A, LYS479B, LYS520A, LYS520B, LYS560A, LYS560B, LYS561A, LYS561B, LYS645A, LYS656A, LYS656B, LYS660A, LYS660B, LYS668A, LYS668B, LYS669A, LYS669B, LYS690A, LYS690B, LYS852A, LYS852B, LYS865A, LYS865B, LYS876A, LYS876B, LYS882A, LYS882B, LYS896A, LYS896B, MET525A, MET525B, MET659A, MET659B, MET694A, MET694B, PHE472A, PHE472B, PHE648A, PHE832A, PHE832B, PHE839A, PHE839B, PHE859A, PHE859B, PHE872A, PHE872B, PHE875A, PHE875B, PHE880A, PHE880B, PHE900A, PHE900B, PRO546A, PRO546B, PRO552A, PRO552B, PRO563A, PRO563B, PRO641A, PRO641B, PRO871A, PRO871B, SER651B, SER661A, SER661B, SER665A, SER665B, SER836A, SER836B, SER850A, SER850B, SER878A, SER878B, THR557A, THR557B, THR559A, THR559B, THR652A, THR652B, THR830A, THR830B, THR857A, THR857B, THR862A, THR862B, THR866A, THR866B, THR897A, THR897B, THR899A, THR899B, TRP536A, TRP536B, TYR532A, TYR532B, TYR848A, TYR848B, TYR863A, TYR863B, TYR902A, TYR902B, VAL564A, VAL564B, VAL643A, VAL643B, VAL654B, VAL667A, VAL667B, VAL670A, VAL670B, VAL838A, VAL838B, VAL849A, VAL849B, VAL858A, VAL858B, VAL868A, VAL868B, VAL898A, VAL898B
• A-C: ALA482A, ALA482C, ALA493A, ALA493C, ALA534A, ALA534C, ALA589A, ALA589C, ALA846A, ALA846C, ALA869A, ALA869C, ALA870A, ALA870C, ALA887A, ALA887C, ARG483A, ARG483C, ARG487A, ARG487C, ARG491A, ARG531A, ARG531C, ARG551A, ARG551C, ARG554A, ARG554C, ASN481A, ASN481C, ASN553A, ASN553C, ASN555A, ASN555C, ASN844A, ASN844C, ASP484A, ASP484C, ASP494A, ASP494C, ASP538A, ASP538C, ASP821A, ASP821C, ASP842A, ASP842C, ASP851A, ASP851C, ASP867A, ASP867C, CYS537A, CYS537C, GLN500A, GLN528A, GLN528C, GLN541A, GLN541C, GLN549A, GLN549C, GLU497A, GLU497C, GLU886A, GLU886C, GLU901A, GLU901C, GLY486A, GLY486C, GLY535A, GLY535C, GLY885A, GLY885C, ILE527A, ILE527C, ILE540A, ILE540C, ILE843A, ILE843C, LEU488A, LEU556A, LEU556C, LEU558A, LEU558C, LEU847A, LEU847C, LEU884A, LEU884C, LEU889A, LEU889C, LYS539A, LYS539C, LYS845A, LYS845C, LYS852A, LYS852C, LYS865A, LYS865C, MET525A, MET525C, PHE530A, PHE530C, PHE533A, PHE533C, PHE900A, PHE900C, PRO871A, PRO871C, SER850A, SER850C, THR529A, THR529C, THR866A, THR866C, TRP536A, TRP536C, TYR490A, TYR490C, TYR532A, TYR532C, TYR848A, TYR848C, TYR902A, TYR902C, VAL849A, VAL849C, VAL868A, VAL868C, VAL898A, VAL898C
• A-D: ALA482A, ALA482D, ALA543A, ALA543D, ALA550A, ALA550D, ALA846A, ALA846D, ARG483A, ARG483D, ARG485A, ARG485D, ARG551A, ARG551D, ARG554A, ARG554D, ARG841A, ARG841D, ASN481A, ASN481D, ASN548A, ASN548D, ASN555A, ASN555D, ASN844A, ASN844D, ASN861A, ASN861D, ASP484A, ASP484D, ASP538A, ASP538D, ASP685A, ASP685D, ASP687A, ASP687D, ASP842A, ASP842D, CYS537A, CYS537D, CYS686A, CYS686D, GLN541A, GLN541D, GLN549A, GLN549D, GLY478A, GLY478D, GLY542A, GLY542D, ILE480A, ILE480D, ILE540A, ILE540D, ILE545A, ILE545D, ILE547A, ILE547D, ILE843A, ILE843D, ILE860A, ILE860D, ILE895D, LEU556A, LEU556D, LEU558A, LEU558D, LEU847A, LEU847D, LYS479A, LYS479D, LYS539A, LYS539D, LYS560A, LYS560D, LYS561A, LYS561D, LYS690A, LYS690D, LYS845A, LYS845D, LYS896A, LYS896D, PHE839A, PHE839D, PHE900A, PHE900D, PRO546A, PRO546D, SER850A, SER850D, THR544A, THR544D, THR557A, THR557D, THR559A, THR559D, THR840A, THR840D, TRP536A, TRP536D, TYR848A, TYR848D, TYR902A, TYR902D, VAL838A, VAL838D, VAL898A, VAL898D
• B-C: ALA482B, ALA482C, ALA543B, ALA543C, ALA550B, ALA550C, ALA846B, ALA846C, ARG483B, ARG483C, ARG485B, ARG485C, ARG551B, ARG551C, ARG554B, ARG554C, ARG841B, ARG841C, ASN481B, ASN481C, ASN548B, ASN548C, ASN555B, ASN555C, ASN844B, ASN844C, ASN861B, ASN861C, ASP484B, ASP484C, ASP538B, ASP538C, ASP685B, ASP685C, ASP687B, ASP687C, ASP842B, ASP842C, CYS537B, CYS537C, CYS686B, CYS686C, GLN541B, GLN541C, GLN549B, GLN549C, GLY478B, GLY478C, GLY542B, GLY542C, ILE480B, ILE480C, ILE540B, ILE540C, ILE545B, ILE545C, ILE547B, ILE547C, ILE843B, ILE843C, ILE860B, ILE860C, LEU556B, LEU556C, LEU558B, LEU558C, LEU847B, LEU847C, LYS479B, LYS479C, LYS539B, LYS539C, LYS560B, LYS560C, LYS561B, LYS561C, LYS690B, LYS690C, LYS845B, LYS845C, LYS896B, LYS896C, PHE839B, PHE839C, PHE900B, PHE900C, PRO546B, PRO546C, THR544B, THR544C, THR557B, THR557C, THR559B, THR559C, THR840B, THR840C, TRP536B, TRP536C, TYR848C, TYR902B, TYR902C, VAL838B, VAL838C, VAL898B, VAL898C
• B-D: ALA482B, ALA482D, ALA493B, ALA493D, ALA534B, ALA534D, ALA589B, ALA589D, ALA846B, ALA846D, ALA869B, ALA869D, ALA870B, ALA870D, ALA887B, ALA887D, ARG483B, ARG483D, ARG487B, ARG487D, ARG491B, ARG531B, ARG531D, ARG551B, ARG551D, ARG554B, ARG554D, ASN481B, ASN481D, ASN553B, ASN553D, ASN555B, ASN555D, ASN844B, ASN844D, ASP484B, ASP484D, ASP494B, ASP494D, ASP538B, ASP538D, ASP821B, ASP842B, ASP842D, ASP851B, ASP851D, ASP867B, ASP867D, CYS537B, CYS537D, GLN528B, GLN528D, GLN541B, GLN541D, GLN549B, GLN549D, GLU497B, GLU497D, GLU886B, GLU886D, GLU901B, GLU901D, GLY486B, GLY486D, GLY535B, GLY535D, GLY885B, GLY885D, ILE527B, ILE527D, ILE540B, ILE540D, ILE843B, ILE843D, LEU488B, LEU556B, LEU556D, LEU558B, LEU558D, LEU847B, LEU847D, LEU884B, LEU884D, LEU889B, LEU889D, LYS539B, LYS539D, LYS845B, LYS845D, LYS852B, LYS852D, LYS865B, LYS865D, MET525B, MET525D, PHE530B, PHE530D, PHE533B, PHE533D, PHE900B, PHE900D, PRO871B, PRO871D, SER850B, SER850D, THR529B, THR529D, THR866B, THR866D, TRP536B, TRP536D, TYR490B, TYR490D, TYR532B, TYR532D, TYR848B, TYR848D, TYR902B, TYR902D, VAL849B, VAL849D, VAL868B, VAL868D, VAL898B, VAL898D
• C-D: ALA543C, ALA543D, ALA550C, ALA550D, ALA663C, ALA663D, ALA835C, ALA835D, ALA846C, ALA846D, ALA855C, ALA855D, ALA869C, ALA869D, ALA870C, ALA870D, ALA887C, ALA887D, ALA888C, ALA888D, ARG551C, ARG551D, ARG554C, ARG554D, ARG644C, ARG644D, ARG894C, ARG894D, ASN548C, ASN548D, ASN553C, ASN553D, ASN555C, ASN555D, ASN666C, ASN666D, ASN828C, ASN828D, ASN861C, ASN861D, ASN864C, ASN864D, ASN890C, ASN890D, ASP642C, ASP642D, ASP851C, ASP851D, ASP867C, ASP867D, ASP883C, ASP883D, CYS662C, CYS662D, GLN528C, GLN528D, GLN549C, GLN549D, GLN673C, GLN673D, GLN693C, GLN693D, GLN854C, GLN854D, GLN877C, GLN877D, GLU473C, GLU473D, GLU562C, GLU562D, GLU653C, GLU653D, GLU831C, GLU831D, GLU886C, GLU886D, GLU891C, GLU891D, GLU901C, GLU901D, GLY478D, GLY565D, GLY655C, GLY655D, GLY675C, GLY675D, GLY833C, GLY833D, GLY837C, GLY837D, GLY856C, GLY856D, GLY873C, GLY873D, GLY874C, GLY874D, GLY879C, GLY879D, GLY881C, GLY881D, GLY885C, GLY885D, HIS657C, HIS657D, ILE545C, ILE545D, ILE547C, ILE547D, ILE646C, ILE646D, ILE658C, ILE658D, ILE843C, ILE843D, ILE860C, ILE860D, ILE895C, ILE895D, LEU556C, LEU556D, LEU558C, LEU558D, LEU664C, LEU664D, LEU672C, LEU672D, LEU674C, LEU674D, LEU834C, LEU834D, LEU847C, LEU847D, LEU853C, LEU853D, LEU884C, LEU884D, LEU893C, LEU893D, LYS469D, LYS479C, LYS479D, LYS520C, LYS520D, LYS560C, LYS560D, LYS561C, LYS561D, LYS645C, LYS645D, LYS656C, LYS656D, LYS660C, LYS660D, LYS668C, LYS668D, LYS669C, LYS669D, LYS690C, LYS690D, LYS852C, LYS852D, LYS865C, LYS865D, LYS876C, LYS876D, LYS882C, LYS882D, LYS896C, LYS896D, MET525C, MET525D, MET659C, MET659D, MET694C, MET694D, PHE472C, PHE472D, PHE832C, PHE832D, PHE839C, PHE839D, PHE859C, PHE859D, PHE872C, PHE872D, PHE875C, PHE875D, PHE880C, PHE880D, PHE900C, PHE900D, PRO546C, PRO546D, PRO552C, PRO552D, PRO563C, PRO563D, PRO641C, PRO641D, PRO871C, PRO871D, SER661C, SER661D, SER665C, SER665D, SER836C, SER836D, SER850C, SER850D, SER878C, SER878D, THR557C, THR557D, THR559C, THR559D, THR652C, THR652D, THR830C, THR830D, THR857C, THR857D, THR862C, THR862D, THR866C, THR866D, THR897C, THR897D, THR899C, THR899D, TRP536C, TRP536D, TYR532C, TYR532D, TYR848C, TYR848D, TYR863C, TYR863D, TYR902C, TYR902D, VAL564C, VAL564D, VAL643C, VAL643D, VAL654C, VAL654D, VAL667C, VAL667D, VAL670C, VAL670D, VAL838C, VAL838D, VAL849C, VAL849D, VAL858C, VAL858D, VAL868C, VAL868D, VAL898C, VAL898D