1P1H

crystal structure of the 1l-myo-inositol/nad+ complex

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 450
  • Norm. En. per Res.: -4.6794
• 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	-358.7338	-91.9621	-1655.04	-2105.7359	450	88	64	66551	1	105	90
A-C	-10.9301	-58.1169	-240.326	-309.373	104	22	6	9930	4	35	31
A-D	-5.6765	-28.5515	-129.429	-163.657	64	2	0	4793	3	26	28
B-C	-5.704	-10.9155	-131.271	-147.8905	74	6	0	4932	1	28	29
B-D	-20.8681	-49.9889	-128.541	-199.3979	77	11	3	5589	4	24	18
C-D	-343.2183	-91.8378	-1656.72	-2091.7762	448	103	66	67386	2	111	95

Interface residues

• A-B: ALA121A, ALA121B, ALA128A, ALA128B, ALA333A, ALA333B, ALA339A, ALA339B, ALA35A, ALA35B, ALA382A, ALA414A, ALA414B, ALA41A, ALA442A, ALA442B, ALA509A, ALA509B, ALA83A, ALA83B, ALA87A, ALA87B, ARG429A, ARG429B, ARG44A, ARG44B, ARG494A, ARG494B, ARG507A, ARG507B, ARG515A, ARG515B, ARG527A, ARG527B, ARG531A, ARG531B, ASN104A, ASN104B, ASN124A, ASN124B, ASN131A, ASN131B, ASN34A, ASN34B, ASN384A, ASN384B, ASN389A, ASN389B, ASN428A, ASN428B, ASN434A, ASN434B, ASN476A, ASN476B, ASN501A, ASN501B, ASN504A, ASN504B, ASN512A, ASN512B, ASN524A, ASN524B, ASN77A, ASN88A, ASN88B, ASP120A, ASP120B, ASP125A, ASP125B, ASP17A, ASP17B, ASP338A, ASP338B, ASP385A, ASP385B, ASP416A, ASP416B, ASP438A, ASP438B, ASP448A, ASP448B, ASP46A, ASP46B, ASP53A, CYS112A, CYS112B, CYS436A, CYS436B, CYS456A, GLN102A, GLN102B, GLN111A, GLN111B, GLN325A, GLN325B, GLN334A, GLN334B, GLN506A, GLN506B, GLN523A, GLN523B, GLN52A, GLN52B, GLU122A, GLU122B, GLU165A, GLU165B, GLU310A, GLU33A, GLU33B, GLU417A, GLU417B, GLU421A, GLU421B, GLU437A, GLU437B, GLU475A, GLU475B, GLU511A, GLU511B, GLU525A, GLU525B, GLU529A, GLU529B, GLU530A, GLU530B, GLU93A, GLU93B, GLU98A, GLU98B, GLY107A, GLY107B, GLY118A, GLY118B, GLY123A, GLY123B, GLY313A, GLY324A, GLY324B, GLY340A, GLY340B, GLY393A, GLY393B, GLY425A, GLY425B, GLY426A, GLY426B, GLY43A, GLY43B, GLY496A, GLY496B, GLY502A, GLY502B, GLY519A, GLY519B, HIS427A, HIS427B, HIS433A, HIS433B, HIS498A, HIS498B, ILE119A, ILE119B, ILE341A, ILE341B, ILE380A, ILE381A, ILE386A, ILE386B, ILE430A, ILE430B, ILE432A, ILE432B, ILE446B, ILE447A, ILE447B, ILE518A, ILE518B, LEU115A, LEU115B, LEU117A, LEU117B, LEU133A, LEU133B, LEU164A, LEU164B, LEU168A, LEU168B, LEU172A, LEU172B, LEU328A, LEU328B, LEU332A, LEU332B, LEU336A, LEU336B, LEU387A, LEU387B, LEU392A, LEU392B, LEU422A, LEU422B, LEU424A, LEU424B, LEU440A, LEU440B, LEU441A, LEU441B, LEU445A, LEU445B, LEU481A, LEU481B, LEU484A, LEU484B, LEU492B, LEU503A, LEU503B, LEU510A, LEU510B, LEU514A, LEU514B, LEU516A, LEU516B, LEU517A, LEU517B, LEU520A, LEU520B, LEU526A, LEU526B, LEU532A, LEU532B, LEU533A, LEU533B, LEU81A, LEU81B, LEU86A, LEU86B, LYS101A, LYS101B, LYS116A, LYS116B, LYS13A, LYS13B, LYS18A, LYS18B, LYS322A, LYS322B, LYS327A, LYS327B, LYS329A, LYS329B, LYS342A, LYS342B, LYS391A, LYS391B, LYS39A, LYS39B, LYS412A, LYS412B, LYS462A, LYS462B, LYS463A, LYS463B, LYS505A, LYS505B, LYS97A, LYS97B, MET109A, MET109B, MET158B, MET415A, MET415B, MET423A, MET423B, PHE106A, PHE106B, PHE130A, PHE130B, PHE315A, PHE315B, PHE335A, PHE335B, PHE45A, PHE45B, PHE474A, PHE477A, PHE477B, PHE483A, PHE483B, PHE497A, PHE497B, PHE513A, PHE513B, PHE528A, PHE528B, PHE56A, PHE56B, PHE94A, PHE94B, PRO103A, PRO103B, PRO129A, PRO129B, PRO139B, PRO444A, PRO444B, PRO479A, PRO479B, PRO491A, PRO491B, PRO495A, PRO495B, PRO499A, PRO499B, PRO49A, PRO49B, PRO521A, PRO521B, SER108A, SER108B, SER113A, SER113B, SER11A, SER11B, SER132A, SER132B, SER31A, SER31B, SER323A, SER323B, SER330A, SER330B, SER383A, SER383B, SER411A, SER411B, SER420A, SER420B, SER42A, SER42B, SER431A, SER431B, SER439A, SER439B, SER460A, SER460B, SER485A, SER485B, SER522A, SER522B, SER79A, SER79B, SER84A, SER84B, THR10A, THR10B, THR110A, THR110B, THR114A, THR114B, THR16A, THR16B, THR326A, THR326B, THR38A, THR38B, THR40A, THR40B, THR443A, THR443B, THR482A, THR482B, THR48A, THR48B, THR493A, THR493B, THR508A, THR508B, THR50A, THR50B, THR80A, THR80B, THR96A, THR96B, TRP487A, TRP487B, TYR105A, TYR105B, TYR127A, TYR127B, TYR30A, TYR30B, TYR32A, TYR32B, TYR388A, TYR388B, TYR418A, TYR418B, TYR419A, TYR419B, TYR461A, TYR461B, TYR478A, TYR478B, TYR486A, TYR486B, TYR54A, TYR54B, VAL126A, VAL126B, VAL12A, VAL12B, VAL14A, VAL14B, VAL15A, VAL15B, VAL163A, VAL163B, VAL331A, VAL331B, VAL337A, VAL337B, VAL344A, VAL344B, VAL36A, VAL36B, VAL37A, VAL37B, VAL413A, VAL413B, VAL435A, VAL435B, VAL459A, VAL459B, VAL47A, VAL47B, VAL480A, VAL480B, VAL500A, VAL500B, VAL51A, VAL51B, VAL55A, VAL55B, VAL82A, VAL82B, VAL85A, VAL85B, VAL92A, VAL92B
• A-C: ALA347A, ALA347C, ALA414A, ALA414C, ARG429A, ARG429C, ASN350A, ASN350C, ASN434A, ASN434C, ASP397A, ASP397C, ASP416A, ASP416C, CYS399A, CYS399C, CYS436A, CYS436C, GLU370C, GLU417A, GLU417C, GLU421A, GLU421C, GLU437A, GLY353A, GLY353C, GLY409A, GLY409C, GLY425A, GLY425C, GLY426A, GLY426C, HIS351A, HIS351C, HIS398A, HIS398C, HIS427A, HIS427C, HIS433A, HIS433C, ILE346A, ILE346C, ILE377C, ILE400A, ILE400C, ILE402A, ILE402C, ILE430A, ILE430C, ILE432A, ILE432C, LEU352A, LEU352C, LEU424A, LEU424C, LYS395A, LYS395C, LYS403A, LYS403C, LYS406A, LYS406C, LYS412A, LYS412C, LYS97A, LYS97C, MET405A, MET405C, MET415A, MET415C, PHE366C, PRO343A, PRO343C, PRO407A, PRO407C, SER345A, SER345C, SER348A, SER348C, SER411A, SER411C, SER420A, SER420C, SER431A, SER431C, TYR349A, TYR349C, TYR404A, TYR404C, TYR418A, TYR418C, TYR419A, TYR419C, VAL344A, VAL344C, VAL396A, VAL396C, VAL401A, VAL401C, VAL408A, VAL408C, VAL413A, VAL413C, VAL435A, VAL435C
• A-D: ARG160A, ARG160D, ARG171A, ARG171D, ARG429A, ARG429D, ASP167A, ASP167D, ASP410A, ASP410D, GLN159A, GLN159D, GLN162A, GLN162D, GLN169A, GLN169D, GLN170A, GLN170D, GLN95A, GLN95D, GLU165A, GLU165D, GLU437A, GLU437D, GLU98A, GLU98D, GLY409A, GLY99A, GLY99D, HIS433A, HIS433D, LEU164A, LEU164D, LEU168A, LEU168D, LEU440A, LEU440D, LYS101A, LYS101D, LYS406A, LYS97A, LYS97D, MET158A, MET158D, PHE94A, PHE94D, PRO407A, SER161A, SER161D, SER411A, SER411D, THR96A, THR96D, TYR155A, TYR155D, TYR166A, TYR166D, VAL100A, VAL100D, VAL163A, VAL163D, VAL408A, VAL435A, VAL435D
• B-C: ARG160B, ARG160C, ARG171B, ARG171C, ARG429B, ARG429C, ASP167B, ASP167C, ASP410B, ASP410C, GLN159B, GLN159C, GLN162B, GLN162C, GLN169B, GLN169C, GLN170B, GLN170C, GLN95B, GLN95C, GLU165B, GLU165C, GLU437B, GLU437C, GLU98B, GLU98C, GLY409B, GLY409C, GLY99B, GLY99C, HIS433B, HIS433C, LEU164B, LEU164C, LEU168B, LEU168C, LEU440B, LEU440C, LYS101B, LYS101C, LYS173B, LYS173C, LYS406B, LYS406C, LYS97B, LYS97C, MET158B, MET158C, MET415B, MET415C, PHE94B, PHE94C, PRO407B, PRO407C, SER161B, SER161C, SER411B, SER411C, SER431B, SER431C, THR96B, THR96C, TYR155B, TYR155C, TYR166B, TYR166C, VAL100B, VAL100C, VAL163B, VAL163C, VAL408B, VAL408C, VAL435B, VAL435C
• B-D: ALA347B, ALA347D, ALA414B, ALA414D, ARG429B, ARG429D, ASN350B, ASN350D, ASN434B, ASN434D, ASP410D, ASP416B, ASP416D, CYS399B, CYS436B, CYS436D, GLU417B, GLU417D, GLU421D, GLY353D, GLY409B, GLY425B, GLY426B, GLY426D, HIS351B, HIS351D, HIS427B, HIS427D, HIS433B, HIS433D, ILE346B, ILE346D, ILE402B, ILE430B, ILE430D, ILE432B, ILE432D, LEU352B, LEU352D, LEU424B, LYS329D, LYS395B, LYS403B, LYS406B, LYS412B, LYS412D, LYS97B, LYS97D, MET405B, MET415B, MET415D, PRO343D, PRO407B, SER345B, SER345D, SER348B, SER348D, SER411B, SER411D, SER420D, SER431B, SER431D, TYR349B, TYR349D, TYR358D, TYR404B, TYR418B, TYR418D, TYR419B, TYR419D, VAL344D, VAL401B, VAL408B, VAL413B, VAL413D, VAL435B, VAL435D
• C-D: ALA121C, ALA121D, ALA128C, ALA128D, ALA333C, ALA333D, ALA339C, ALA339D, ALA35C, ALA35D, ALA382C, ALA382D, ALA414C, ALA414D, ALA41D, ALA442C, ALA442D, ALA509C, ALA509D, ALA83C, ALA83D, ALA87C, ALA87D, ARG429C, ARG429D, ARG44C, ARG44D, ARG494C, ARG494D, ARG507C, ARG507D, ARG515C, ARG515D, ARG527C, ARG527D, ARG531C, ARG531D, ASN104C, ASN104D, ASN124C, ASN124D, ASN131C, ASN131D, ASN34C, ASN34D, ASN384C, ASN384D, ASN389C, ASN389D, ASN428C, ASN428D, ASN434C, ASN434D, ASN476C, ASN476D, ASN501C, ASN501D, ASN504C, ASN504D, ASN512C, ASN512D, ASN524C, ASN524D, ASN77C, ASN88C, ASN88D, ASN91D, ASP120C, ASP120D, ASP125C, ASP125D, ASP17C, ASP17D, ASP338C, ASP338D, ASP379C, ASP385C, ASP385D, ASP416C, ASP416D, ASP438C, ASP438D, ASP448C, ASP448D, ASP46C, ASP46D, ASP53D, CYS112C, CYS112D, CYS19C, CYS436C, CYS436D, CYS456C, GLN102C, GLN102D, GLN111C, GLN111D, GLN325C, GLN325D, GLN334C, GLN334D, GLN506C, GLN506D, GLN523C, GLN523D, GLN52C, GLN52D, GLU122C, GLU122D, GLU165C, GLU165D, GLU310C, GLU33C, GLU33D, GLU417C, GLU417D, GLU421C, GLU421D, GLU437C, GLU437D, GLU475C, GLU475D, GLU511C, GLU511D, GLU525C, GLU525D, GLU529C, GLU529D, GLU530C, GLU530D, GLU93C, GLU93D, GLU98C, GLU98D, GLY107C, GLY107D, GLY118C, GLY118D, GLY123C, GLY123D, GLY324C, GLY324D, GLY340C, GLY340D, GLY393C, GLY425C, GLY425D, GLY426C, GLY426D, GLY43C, GLY43D, GLY496C, GLY496D, GLY502C, GLY502D, GLY519C, GLY519D, HIS427C, HIS427D, HIS433C, HIS433D, HIS498C, HIS498D, ILE119C, ILE119D, ILE341C, ILE341D, ILE380C, ILE380D, ILE386C, ILE386D, ILE430C, ILE430D, ILE432C, ILE432D, ILE446D, ILE447C, ILE447D, ILE518C, ILE518D, LEU115C, LEU115D, LEU117C, LEU117D, LEU133C, LEU133D, LEU164C, LEU164D, LEU168C, LEU168D, LEU172C, LEU172D, LEU328C, LEU328D, LEU332C, LEU332D, LEU336C, LEU336D, LEU387C, LEU387D, LEU392C, LEU422C, LEU422D, LEU424C, LEU424D, LEU440C, LEU440D, LEU441C, LEU441D, LEU445C, LEU445D, LEU481C, LEU481D, LEU484C, LEU484D, LEU492C, LEU492D, LEU503C, LEU503D, LEU510C, LEU510D, LEU514C, LEU514D, LEU516C, LEU516D, LEU517C, LEU517D, LEU520C, LEU520D, LEU526C, LEU526D, LEU532C, LEU532D, LEU533C, LEU533D, LEU81C, LEU81D, LEU86C, LEU86D, LYS101C, LYS101D, LYS116C, LYS116D, LYS13C, LYS13D, LYS18C, LYS18D, LYS322C, LYS322D, LYS327C, LYS327D, LYS329C, LYS329D, LYS342C, LYS342D, LYS391C, LYS39C, LYS39D, LYS412C, LYS412D, LYS462C, LYS462D, LYS463C, LYS463D, LYS505C, LYS505D, LYS97C, MET109C, MET109D, MET158C, MET158D, MET415C, MET415D, MET423C, MET423D, PHE106C, PHE106D, PHE130C, PHE130D, PHE315C, PHE335C, PHE335D, PHE45C, PHE45D, PHE477C, PHE477D, PHE483C, PHE483D, PHE497C, PHE497D, PHE513C, PHE513D, PHE528C, PHE528D, PHE56C, PHE56D, PHE94C, PHE94D, PRO103C, PRO103D, PRO129C, PRO129D, PRO139D, PRO444C, PRO444D, PRO479C, PRO479D, PRO491D, PRO495C, PRO495D, PRO499C, PRO499D, PRO49C, PRO49D, PRO521C, PRO521D, SER108C, SER108D, SER113C, SER113D, SER11C, SER11D, SER132C, SER132D, SER31C, SER31D, SER323C, SER323D, SER330C, SER330D, SER383C, SER383D, SER411C, SER420C, SER420D, SER42C, SER42D, SER431C, SER431D, SER439C, SER439D, SER460C, SER460D, SER485C, SER485D, SER522C, SER522D, SER79C, SER79D, SER84C, SER84D, THR10C, THR10D, THR110C, THR110D, THR114C, THR114D, THR16C, THR16D, THR326C, THR326D, THR38C, THR38D, THR40C, THR40D, THR443C, THR443D, THR482C, THR482D, THR48C, THR48D, THR493C, THR493D, THR508C, THR508D, THR50C, THR50D, THR80C, THR80D, THR96C, THR96D, TRP487C, TRP487D, TYR105C, TYR105D, TYR127C, TYR127D, TYR21D, TYR30C, TYR30D, TYR32C, TYR32D, TYR388C, TYR388D, TYR418C, TYR418D, TYR419C, TYR419D, TYR461C, TYR461D, TYR478C, TYR478D, TYR486C, TYR486D, TYR54C, TYR54D, VAL126C, VAL126D, VAL12C, VAL12D, VAL14C, VAL14D, VAL15C, VAL15D, VAL163C, VAL163D, VAL331C, VAL331D, VAL337C, VAL337D, VAL344C, VAL344D, VAL36C, VAL36D, VAL37C, VAL37D, VAL413C, VAL413D, VAL435C, VAL435D, VAL459C, VAL459D, VAL47C, VAL47D, VAL480C, VAL480D, VAL500C, VAL500D, VAL51C, VAL51D, VAL55C, VAL55D, VAL82C, VAL82D, VAL85C, VAL85D, VAL92C, VAL92D