3QBP

crystal structure of fumarase fum from mycobacterium marinum

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 156
  • Norm. En. per Res.: -3.8387
• 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	-107.7877	-37.3353	-503.252	-648.3751	173	15	3	17883	4	14	16
A-C	-151.8587	-145.0155	-783.206	-1080.0802	291	24	23	31935	16	60	65
A-D	-96.5037	-14.0919	-513.416	-624.0116	187	7	27	20850	8	22	17
B-C	-106.3786	0.0	-531.555	-637.9336	188	9	26	21814	8	23	18
B-D	-124.7364	-106.0719	-786.62	-1017.4283	290	23	23	31945	16	59	64
C-D	-107.0269	-37.3549	-454.455	-598.8368	156	16	5	15810	6	18	20

Interface residues

• A-B: ALA196A, ALA196B, ALA297A, ALA297B, ALA312A, ALA312B, ALA350A, ALA350B, ALA351A, ALA351B, ALA353A, ALA353B, ALA357A, ALA357B, ALA407A, ALA407B, ALA426A, ALA426B, ALA427A, ALA427B, ALA428A, ALA428B, ALA430A, ALA430B, ALA433A, ALA433B, ARG190A, ARG190B, ARG301A, ARG301B, ARG437A, ARG437B, ASN298A, ASN298B, ASN331A, ASN331B, ASN358A, ASN358B, ASN418A, ASP195A, ASP195B, ASP299A, ASP299B, ASP349A, ASP349B, GLN315A, GLN315B, GLN340A, GLN340B, GLN432A, GLN432B, GLU313A, GLU313B, GLU336A, GLU336B, GLU405A, GLU405B, GLU408A, GLU408B, GLU424A, GLU424B, GLU425A, GLY189A, GLY189B, GLY304A, GLY304B, GLY306A, GLY306B, GLY310A, GLY310B, GLY328A, GLY328B, GLY355A, GLY355B, GLY356A, GLY356B, GLY422A, HIS192A, HIS192B, HIS402A, ILE300A, ILE300B, ILE314A, ILE314B, ILE325B, ILE346A, ILE346B, ILE413A, ILE413B, ILE440A, ILE440B, LEU193A, LEU193B, LEU308A, LEU308B, LEU311A, LEU311B, LEU316A, LEU316B, LEU403A, LEU403B, LEU406A, LEU406B, LEU434A, LEU434B, LYS187A, LYS187B, LYS329A, LYS329B, LYS431A, LYS431B, LYS435A, LYS435B, LYS438A, LYS438B, MET194A, MET194B, MET303A, MET303B, MET326A, MET326B, PRO198A, PRO198B, PRO307A, PRO307B, PRO327A, PRO327B, PRO332A, PRO332B, PRO335A, PRO335B, PRO411A, PRO411B, SER188A, SER188B, SER305A, SER305B, SER324B, SER409A, SER409B, SER410A, SER410B, SER412A, SER412B, THR191A, THR191B, THR309A, THR309B, THR415A, THR415B, THR439A, THR439B, TRP302A, TRP302B, TRP354A, TRP354B, TYR366A, TYR423A, TYR423B, VAL197A, VAL197B, VAL280A, VAL280B, VAL330A, VAL330B, VAL333A, VAL333B, VAL352A, VAL352B, VAL414A, VAL414B, VAL429A, VAL429B
• A-C: ALA179A, ALA179C, ALA196A, ALA196C, ALA209A, ALA209C, ALA214A, ALA214C, ALA221A, ALA221C, ALA235A, ALA235C, ALA242A, ALA242C, ALA266A, ALA266C, ALA267A, ALA267C, ALA272A, ALA272C, ALA274A, ALA274C, ALA275A, ALA275C, ALA282A, ALA282C, ALA285A, ALA285C, ALA290A, ALA290C, ALA342A, ALA342C, ALA350A, ALA350C, ALA351A, ALA351C, ALA353A, ALA353C, ALA357A, ALA357C, ALA360A, ALA360C, ALA467A, ALA467C, ALA469A, ALA469C, ARG190A, ARG190C, ARG210A, ARG210C, ARG218A, ARG218C, ARG220A, ARG220C, ARG225A, ARG225C, ARG264A, ARG264C, ARG276A, ARG276C, ARG287A, ARG287C, ARG301A, ARG301C, ASN145A, ASN145C, ASN241A, ASN241C, ASN268A, ASN268C, ASN298A, ASN298C, ASN348A, ASN348C, ASN358A, ASN358C, ASN364A, ASN364C, ASP195A, ASP195C, ASP277A, ASP277C, ASP299A, ASP299C, ASP349A, ASP349C, ASP464C, GLN106A, GLN203A, GLN203C, GLN211A, GLN211C, GLN273A, GLN273C, GLU204A, GLU204C, GLU213A, GLU213C, GLU217A, GLU217C, GLU228A, GLU228C, GLU244A, GLU244C, GLU271A, GLU271C, GLU281A, GLU281C, GLU313A, GLU313C, GLU362A, GLU362C, GLU472A, GLU472C, GLY108A, GLY108C, GLY110A, GLY110C, GLY189A, GLY189C, GLY202A, GLY202C, GLY207A, GLY207C, GLY215A, GLY215C, GLY232C, GLY233A, GLY233C, GLY237A, GLY237C, GLY239A, GLY239C, GLY245A, GLY245C, GLY278A, GLY278C, GLY284A, GLY284C, GLY304A, GLY304C, GLY355A, GLY355C, GLY356A, GLY356C, GLY359A, GLY359C, HIS153A, HIS153C, HIS192A, HIS192C, ILE212A, ILE212C, ILE216A, ILE216C, ILE289A, ILE289C, ILE296A, ILE296C, ILE300A, ILE300C, ILE314A, ILE314C, ILE346A, ILE346C, ILE367A, ILE367C, ILE413A, ILE413C, LEU193A, LEU193C, LEU201A, LEU201C, LEU226A, LEU226C, LEU240A, LEU240C, LEU279A, LEU279C, LEU286A, LEU286C, LEU293A, LEU293C, LEU311A, LEU311C, LEU363A, LEU363C, LEU466A, LEU466C, LYS187A, LYS187C, LYS295A, LYS295C, LYS470A, LYS470C, MET194A, MET194C, MET303A, MET303C, MET370A, MET370C, MET468A, MET468C, PHE205A, PHE205C, PHE246C, PHE270A, PHE270C, PHE361A, PHE361C, PRO198A, PRO198C, PRO224A, PRO224C, PRO243A, PRO243C, PRO416A, PRO416C, SER109A, SER109C, SER112A, SER112C, SER143A, SER143C, SER144A, SER144C, SER188A, SER188C, SER206A, SER206C, SER269A, SER269C, SER283A, SER283C, SER292A, SER292C, SER305A, SER305C, SER412A, SER412C, THR107A, THR107C, THR111A, THR111C, THR191A, THR191C, THR200A, THR200C, THR222A, THR222C, THR234A, THR234C, THR238A, THR238C, THR288A, THR288C, THR294A, THR294C, THR339A, THR339C, THR415A, THR415C, TRP302A, TRP302C, TRP354A, TRP354C, TYR208A, TYR208C, TYR366A, VAL186A, VAL186C, VAL197A, VAL197C, VAL199A, VAL199C, VAL219A, VAL219C, VAL236A, VAL236C, VAL280A, VAL280C, VAL291A, VAL291C, VAL352A, VAL352C, VAL365A, VAL365C, VAL465A, VAL465C, VAL471A, VAL471C
• A-D: ALA290A, ALA290D, ALA297A, ALA297D, ALA337A, ALA337D, ALA342A, ALA342D, ALA343A, ALA343D, ALA350A, ALA350D, ALA351A, ALA351D, ALA353A, ALA353D, ALA360A, ALA360D, ALA371A, ALA371D, ALA40A, ALA40D, ARG287A, ARG287D, ARG301A, ARG301D, ARG372A, ARG372D, ARG391A, ARG391D, ARG39A, ARG39D, ARG49A, ARG49D, ASN145A, ASN145D, ASN298A, ASN298D, ASN331A, ASN331D, ASN348A, ASN348D, ASN358A, ASN358D, ASN364A, ASN364D, ASN373A, ASN373D, ASN383A, ASN383D, ASN43A, ASN43D, ASP103A, ASP103D, ASP318A, ASP318D, ASP349A, ASP349D, GLN106A, GLN106D, GLN340A, GLN340D, GLN344A, GLN344D, GLU336A, GLU336D, GLU376A, GLU376D, GLU42A, GLU42D, GLU52A, GLU52D, GLY108A, GLY108D, GLY110A, GLY110D, GLY310D, GLY347A, GLY347D, GLY355A, GLY355D, GLY356A, GLY356D, GLY359A, GLY359D, GLY48A, GLY48D, GLY50D, ILE346A, ILE346D, ILE367A, ILE367D, ILE46A, ILE46D, LEU193A, LEU193D, LEU319A, LEU319D, LEU334A, LEU334D, LEU363A, LEU363D, LEU380A, LEU380D, LEU381A, LEU381D, LEU387A, LEU387D, LYS295A, LYS295D, LYS386A, LYS386D, MET115D, MET369A, MET369D, MET370A, MET370D, PHE105A, PHE105D, PHE148A, PHE148D, PHE361A, PHE361D, PHE388A, PHE388D, PHE44A, PHE44D, PRO332A, PRO332D, PRO335A, PRO335D, PRO368A, PRO368D, PRO45A, PRO45D, SER109A, SER109D, SER112A, SER112D, SER144A, SER144D, SER305D, SER377D, SER385A, SER385D, SER47A, SER47D, THR107A, THR107D, THR111A, THR111D, THR294A, THR294D, THR309A, THR309D, THR339A, THR339D, THR379A, THR379D, THR382A, THR382D, TRP302A, TRP302D, TRP354A, TRP354D, TYR366A, TYR366D, VAL104A, VAL104D, VAL291A, VAL291D, VAL333A, VAL333D, VAL338A, VAL338D, VAL341A, VAL341D, VAL345A, VAL345D, VAL352A, VAL352D, VAL365A, VAL365D, VAL384A, VAL384D, VAL41A, VAL41D
• B-C: ALA290B, ALA290C, ALA297B, ALA297C, ALA337B, ALA337C, ALA342B, ALA342C, ALA343B, ALA343C, ALA350B, ALA350C, ALA351B, ALA351C, ALA353B, ALA353C, ALA360B, ALA360C, ALA371B, ALA371C, ALA40B, ALA40C, ARG287B, ARG287C, ARG301B, ARG301C, ARG372B, ARG372C, ARG391B, ARG391C, ARG39B, ARG39C, ARG49B, ARG49C, ASN145B, ASN145C, ASN298B, ASN298C, ASN331B, ASN331C, ASN348B, ASN348C, ASN358B, ASN358C, ASN364B, ASN364C, ASN373B, ASN373C, ASN383B, ASN383C, ASN43B, ASN43C, ASP103B, ASP103C, ASP318B, ASP318C, ASP349B, ASP349C, GLN106B, GLN106C, GLN320B, GLN340B, GLN340C, GLN344B, GLN344C, GLN36C, GLU336B, GLU336C, GLU376B, GLU376C, GLU42B, GLU42C, GLU52B, GLU52C, GLY108B, GLY108C, GLY110B, GLY110C, GLY310B, GLY322B, GLY347B, GLY347C, GLY355B, GLY355C, GLY356B, GLY356C, GLY359B, GLY359C, GLY48B, GLY48C, ILE346B, ILE346C, ILE367B, ILE367C, ILE46B, ILE46C, LEU193C, LEU319B, LEU319C, LEU334B, LEU334C, LEU363B, LEU363C, LEU380B, LEU380C, LEU381B, LEU381C, LEU387B, LEU387C, LYS295B, LYS295C, LYS386B, LYS386C, MET115B, MET115C, MET369B, MET369C, MET370B, MET370C, PHE105B, PHE105C, PHE148B, PHE148C, PHE361B, PHE361C, PHE388B, PHE388C, PHE44B, PHE44C, PRO321B, PRO332B, PRO332C, PRO335B, PRO335C, PRO368B, PRO368C, PRO45B, PRO45C, SER109B, SER109C, SER112B, SER112C, SER144B, SER144C, SER377C, SER385B, SER385C, SER47B, SER47C, THR107B, THR107C, THR111B, THR111C, THR294B, THR294C, THR309B, THR339B, THR339C, THR379B, THR379C, THR382B, THR382C, TRP302B, TRP302C, TRP354B, TRP354C, TYR366B, TYR366C, VAL104B, VAL104C, VAL291B, VAL291C, VAL333B, VAL333C, VAL338B, VAL338C, VAL341B, VAL341C, VAL345B, VAL345C, VAL352B, VAL352C, VAL365B, VAL365C, VAL384B, VAL384C, VAL41B, VAL41C
• B-D: ALA179B, ALA179D, ALA196B, ALA196D, ALA209B, ALA209D, ALA214B, ALA214D, ALA221B, ALA221D, ALA235B, ALA235D, ALA242B, ALA242D, ALA266B, ALA266D, ALA267B, ALA267D, ALA272B, ALA272D, ALA274B, ALA274D, ALA275B, ALA275D, ALA282B, ALA282D, ALA285B, ALA285D, ALA290B, ALA290D, ALA342B, ALA342D, ALA350B, ALA350D, ALA351B, ALA351D, ALA353B, ALA353D, ALA357B, ALA357D, ALA360B, ALA360D, ALA467B, ALA467D, ALA469B, ALA469D, ARG190B, ARG190D, ARG210B, ARG210D, ARG218B, ARG218D, ARG220B, ARG220D, ARG225B, ARG225D, ARG264B, ARG264D, ARG276B, ARG276D, ARG287B, ARG287D, ARG301B, ARG301D, ASN145B, ASN145D, ASN241B, ASN241D, ASN268B, ASN268D, ASN298B, ASN298D, ASN348B, ASN348D, ASN358B, ASN358D, ASN364B, ASN364D, ASP195B, ASP195D, ASP277B, ASP277D, ASP299B, ASP299D, ASP349B, ASP349D, GLN106D, GLN203B, GLN203D, GLN211B, GLN211D, GLN273B, GLN273D, GLU204B, GLU204D, GLU213B, GLU213D, GLU217B, GLU217D, GLU228B, GLU228D, GLU244B, GLU244D, GLU271B, GLU271D, GLU281B, GLU281D, GLU313B, GLU313D, GLU362B, GLU362D, GLU472B, GLU472D, GLY108B, GLY108D, GLY110B, GLY110D, GLY189B, GLY189D, GLY202B, GLY202D, GLY207B, GLY207D, GLY215B, GLY215D, GLY232B, GLY232D, GLY233B, GLY233D, GLY237B, GLY237D, GLY239B, GLY239D, GLY245B, GLY245D, GLY278B, GLY278D, GLY284B, GLY284D, GLY304B, GLY304D, GLY355B, GLY355D, GLY356B, GLY356D, GLY359B, GLY359D, HIS153B, HIS153D, HIS192B, HIS192D, ILE212B, ILE212D, ILE216B, ILE216D, ILE289B, ILE289D, ILE296B, ILE296D, ILE300B, ILE300D, ILE314B, ILE314D, ILE346B, ILE346D, ILE367B, ILE367D, ILE413B, ILE413D, LEU193B, LEU193D, LEU201B, LEU201D, LEU226B, LEU226D, LEU240B, LEU240D, LEU279B, LEU279D, LEU286B, LEU286D, LEU293B, LEU293D, LEU311B, LEU311D, LEU363B, LEU363D, LEU466B, LEU466D, LYS187B, LYS187D, LYS295B, LYS295D, LYS470B, LYS470D, MET194B, MET194D, MET303B, MET303D, MET370B, MET370D, MET468B, MET468D, PHE205B, PHE205D, PHE270B, PHE270D, PHE361B, PHE361D, PRO198B, PRO198D, PRO224B, PRO224D, PRO243B, PRO243D, PRO416B, PRO416D, SER109B, SER109D, SER112B, SER112D, SER143B, SER143D, SER144B, SER144D, SER188B, SER188D, SER206B, SER206D, SER269B, SER269D, SER283B, SER283D, SER292B, SER292D, SER305B, SER305D, SER412B, SER412D, THR107B, THR107D, THR111B, THR111D, THR191B, THR191D, THR200B, THR200D, THR222B, THR222D, THR234B, THR234D, THR238B, THR238D, THR288B, THR288D, THR294B, THR294D, THR339B, THR339D, THR415B, THR415D, TRP302B, TRP302D, TRP354B, TRP354D, TYR208B, TYR208D, TYR366B, VAL186B, VAL186D, VAL197B, VAL197D, VAL199B, VAL199D, VAL219B, VAL219D, VAL236B, VAL236D, VAL280B, VAL280D, VAL291B, VAL291D, VAL352B, VAL352D, VAL365B, VAL365D, VAL465B, VAL465D, VAL471B, VAL471D
• C-D: ALA196C, ALA196D, ALA297C, ALA297D, ALA312C, ALA312D, ALA350C, ALA350D, ALA351C, ALA351D, ALA353C, ALA353D, ALA357C, ALA357D, ALA407C, ALA407D, ALA426D, ALA427D, ALA428D, ALA430D, ALA433C, ALA433D, ARG190C, ARG190D, ARG301C, ARG301D, ARG437C, ARG437D, ASN298C, ASN298D, ASN331C, ASN331D, ASN358C, ASN358D, ASN418D, ASP195C, ASP195D, ASP299C, ASP299D, ASP349C, ASP349D, GLN315C, GLN315D, GLN340C, GLN340D, GLN432D, GLU313C, GLU313D, GLU336C, GLU336D, GLU401D, GLU405C, GLU405D, GLU408C, GLU408D, GLU424D, GLU425D, GLY189C, GLY189D, GLY304C, GLY304D, GLY306C, GLY306D, GLY310C, GLY310D, GLY328C, GLY355C, GLY355D, GLY356C, GLY356D, HIS192C, HIS192D, HIS402D, ILE300C, ILE300D, ILE314C, ILE314D, ILE325C, ILE346C, ILE346D, ILE413C, ILE413D, ILE440C, ILE440D, LEU193C, LEU193D, LEU308C, LEU308D, LEU311C, LEU311D, LEU316C, LEU316D, LEU403D, LEU406C, LEU406D, LEU434C, LEU434D, LYS187C, LYS187D, LYS329C, LYS329D, LYS431D, LYS435D, LYS438C, LYS438D, MET194C, MET194D, MET303C, MET303D, MET326C, PRO198C, PRO198D, PRO307C, PRO307D, PRO327C, PRO332C, PRO332D, PRO335C, PRO335D, PRO411C, PRO411D, SER188C, SER188D, SER305C, SER305D, SER409C, SER409D, SER410C, SER410D, SER412C, SER412D, THR191C, THR191D, THR309C, THR309D, THR415D, THR439C, THR439D, TRP302C, TRP302D, TRP354C, TRP354D, TYR366C, TYR423D, VAL197C, VAL197D, VAL280C, VAL280D, VAL330C, VAL330D, VAL333C, VAL333D, VAL352C, VAL352D, VAL414D, VAL429D