1SMK

mature and translocatable forms of glyoxysomal malate dehydrogenase have different activities and stabilities but similar crystal structures

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 169
  • Norm. En. per Res.: -3.8558
• 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	-101.5849	-34.218	-526.425	-662.2278	174	24	6	19226	7	35	39
A-C	-40.4133	-21.0912	-182.606	-244.1105	77	13	2	6861	3	32	31
A-D	0.0	0.0	-1.916	-1.916	17	0	0	181	0	0	0
B-G	0.0	0.0	-34.998	-34.998	34	3	0	1830	0	2	4
B-H	-9.4938	-8.07	-139.691	-157.2548	77	11	4	5982	2	32	29
C-D	-94.9558	-26.5517	-530.12	-651.6275	169	24	8	19523	8	35	39
E-F	-98.2524	-21.1882	-538.313	-657.7537	176	26	6	19544	6	33	38
E-G	0.0	40.1985	-81.2364	-41.0379	55	11	1	3505	1	15	19
E-H	0.0	0.0	-39.2452	-39.2452	36	4	0	1969	0	2	4
G-H	-97.3695	-26.5992	-527.173	-651.1416	176	28	8	19538	7	33	39

Interface residues

• A-B: ALA197A, ALA197B, ALA202A, ALA202B, ALA260A, ALA260B, ALA262A, ALA262B, ALA264A, ALA264B, ALA267A, ALA267B, ALA272A, ALA272B, ALA274A, ALA274B, ALA52A, ALA52B, ALA53A, ALA53B, ALA61A, ALA61B, ALA81A, ALA81B, ALA86A, ALA86B, ALA95A, ALA95B, ARG196A, ARG196B, ARG210A, ARG210B, ARG249A, ARG249B, ASN198A, ASN198B, ASN252A, ASN252B, ASN67A, ASN67B, ASN80A, ASN80B, ASP193A, ASP193B, ASP208A, ASP208B, ASP211A, ASP211B, ASP213A, ASP213B, ASP87A, ASP87B, ASP92A, ASP92B, GLN58A, GLN58B, GLU203A, GLU203B, GLU256A, GLU256B, GLU259A, GLU259B, GLY253A, GLY253B, GLY254A, GLY254B, GLY265A, GLY265B, GLY44A, GLY54A, GLY54B, GLY55A, GLY55B, GLY57A, GLY57B, GLY83A, GLY83B, GLY94A, GLY94B, HIS90A, HIS90B, ILE250A, ILE250B, ILE56A, ILE56B, ILE88A, ILE88B, LEU101B, LEU192A, LEU192B, LEU207A, LEU207B, LEU269A, LEU269B, LEU60A, LEU60B, LEU63A, LEU63B, LEU69A, LEU69B, LEU75A, LEU75B, LYS261A, LYS261B, LYS277A, LYS277B, LYS65A, LYS65B, MET191A, MET191B, MET271A, MET271B, MET62A, MET62B, MET64A, MET64B, MET66A, MET66B, MET91A, MET91B, PHE200A, PHE200B, PRO209A, PRO209B, PRO59A, PRO59B, PRO68A, PRO68B, PRO82A, PRO82B, SER266A, SER266B, SER270A, SER270B, SER71A, SER71B, SER89A, SER89B, THR199A, THR199B, THR255A, THR255B, THR268A, THR268B, THR85A, THR85B, THR93A, THR93B, TYR273A, TYR273B, VAL194A, VAL194B, VAL195A, VAL195B, VAL201A, VAL201B, VAL212A, VAL212B, VAL214A, VAL214B, VAL257A, VAL257B, VAL258A, VAL258B, VAL276A, VAL276B, VAL70A, VAL70B, VAL84A, VAL84B, VAL96A, VAL96B, VAL97A, VAL97B
• A-C: ALA260C, ALA262C, ARG124C, ARG249C, ARG313A, ARG333A, ASN252C, ASN329A, ASP132C, ASP248C, GLN231A, GLN240C, GLN251C, GLN301A, GLU203C, GLU241C, GLU242C, GLU256C, GLU259C, GLU304A, GLU320A, GLU321A, GLU330A, GLU332A, GLU337A, GLU342C, GLY127C, GLY206C, GLY222C, GLY253C, GLY254C, GLY263C, GLY326A, GLY335A, GLY335C, ILE243C, ILE293A, ILE319A, ILE334A, ILE334C, LEU205C, LEU246C, LEU305A, LEU325A, LEU328A, LEU336A, LYS125C, LYS184A, LYS311A, LYS338A, LYS338C, LYS340A, LYS341A, MET128C, PHE200C, PHE238C, PHE308A, PRO126C, PRO306A, PRO327A, SER244C, SER324A, THR129C, THR239C, THR247C, THR255C, THR303A, TYR245C, TYR323A, TYR331A, TYR331C, VAL204C, VAL223C, VAL257C, VAL258C, VAL302A, VAL322A
• A-D: ALA108D, ALA86D, ARG98D, GLN104D, GLN105D, GLY326A, HIS90D, LEU101D, LYS233A, PHE100D, PRO234A, PRO235A, PRO327A, PRO82D, SER236A, SER237A, SER89D
• B-G: ALA108G, ALA109G, ALA86G, ARG210B, ARG98G, ASP208B, ASP211B, ASP213B, GLN104G, GLN105G, GLN231B, GLY326B, GLY83G, GLY99G, HIS74G, HIS90G, LEU101G, LEU106G, LEU207B, LEU75G, LYS233B, PHE100G, PRO234B, PRO235B, PRO327B, PRO82G, SER230B, SER236B, SER237B, SER89G, THR85G, VAL212B, VAL232B, VAL97G
• B-H: ALA260H, ALA262H, ALA264H, ALA290B, ARG124H, ARG249H, ARG313B, ARG316B, ARG333B, ASN252H, ASN317B, ASN329B, ASP131H, ASP213B, ASP248H, ASP289B, GLN231B, GLN251H, GLN301B, GLU203H, GLU241H, GLU242H, GLU256H, GLU259H, GLU304B, GLU320B, GLU321B, GLU330B, GLU332B, GLU337B, GLY127H, GLY253H, GLY254H, GLY263H, GLY265H, GLY288B, GLY291B, GLY315B, GLY326B, GLY335B, ILE243H, ILE293B, ILE334B, LEU205H, LEU228B, LEU246H, LEU325B, LEU328B, LEU336B, LYS125H, LYS184B, LYS233B, LYS261H, LYS311B, LYS340B, MET128H, PHE200H, PHE238H, PRO126H, PRO215B, PRO327B, SER244H, SER310B, SER324B, THR129H, THR239H, THR255H, THR303B, TYR245H, TYR323B, VAL204H, VAL257H, VAL258H, VAL292B, VAL302B, VAL312B, VAL322B
• C-D: ALA197C, ALA197D, ALA202C, ALA202D, ALA260C, ALA260D, ALA262C, ALA262D, ALA264C, ALA264D, ALA267C, ALA267D, ALA272C, ALA272D, ALA274C, ALA274D, ALA52C, ALA52D, ALA53C, ALA53D, ALA61C, ALA61D, ALA81C, ALA81D, ALA86C, ALA86D, ALA95C, ALA95D, ARG196C, ARG196D, ARG210C, ARG210D, ARG249C, ARG249D, ASN198C, ASN198D, ASN252C, ASN252D, ASN67C, ASN67D, ASN80C, ASN80D, ASP193C, ASP193D, ASP208C, ASP208D, ASP211C, ASP211D, ASP213C, ASP213D, ASP87C, ASP87D, ASP92C, ASP92D, GLN58C, GLN58D, GLU203C, GLU203D, GLU256C, GLU256D, GLU259C, GLU259D, GLY253C, GLY253D, GLY254C, GLY254D, GLY265C, GLY54C, GLY54D, GLY55C, GLY55D, GLY57C, GLY57D, GLY83C, GLY83D, GLY94C, GLY94D, HIS90C, HIS90D, ILE250C, ILE250D, ILE56C, ILE56D, ILE88C, ILE88D, LEU192C, LEU192D, LEU207C, LEU207D, LEU269C, LEU269D, LEU60C, LEU60D, LEU63C, LEU63D, LEU69C, LEU69D, LEU75C, LEU75D, LYS261C, LYS261D, LYS277C, LYS277D, LYS65C, LYS65D, MET191C, MET191D, MET271C, MET271D, MET62C, MET62D, MET64C, MET64D, MET66C, MET66D, MET91C, MET91D, PHE200C, PHE200D, PRO209C, PRO209D, PRO59C, PRO59D, PRO68C, PRO68D, PRO82C, PRO82D, SER266C, SER266D, SER270C, SER270D, SER71C, SER71D, SER89C, SER89D, THR199C, THR199D, THR255C, THR255D, THR268C, THR268D, THR85C, THR85D, THR93C, THR93D, TYR273C, TYR273D, VAL194C, VAL194D, VAL195C, VAL195D, VAL201C, VAL212C, VAL212D, VAL214C, VAL257C, VAL257D, VAL258C, VAL258D, VAL276C, VAL276D, VAL70C, VAL70D, VAL84C, VAL84D, VAL96C, VAL96D, VAL97C, VAL97D
• E-F: ALA197E, ALA197F, ALA202E, ALA202F, ALA260E, ALA260F, ALA262E, ALA262F, ALA264E, ALA264F, ALA267E, ALA267F, ALA272E, ALA272F, ALA274E, ALA274F, ALA52E, ALA52F, ALA53E, ALA53F, ALA61E, ALA61F, ALA81E, ALA81F, ALA86E, ALA86F, ALA95E, ALA95F, ARG196E, ARG196F, ARG210E, ARG210F, ARG249E, ARG249F, ASN198E, ASN198F, ASN252E, ASN252F, ASN67E, ASN67F, ASN80E, ASN80F, ASP193E, ASP193F, ASP208E, ASP208F, ASP211E, ASP211F, ASP213E, ASP213F, ASP87E, ASP87F, ASP92E, ASP92F, GLN58E, GLN58F, GLU203E, GLU203F, GLU256E, GLU256F, GLU259E, GLU259F, GLY253E, GLY253F, GLY254E, GLY254F, GLY265E, GLY265F, GLY44E, GLY44F, GLY54E, GLY54F, GLY55E, GLY55F, GLY57E, GLY57F, GLY83E, GLY83F, GLY94E, GLY94F, HIS90E, HIS90F, ILE250E, ILE250F, ILE56E, ILE56F, ILE88E, ILE88F, LEU101E, LEU101F, LEU192E, LEU192F, LEU207E, LEU207F, LEU269E, LEU269F, LEU60E, LEU60F, LEU63E, LEU63F, LEU69E, LEU69F, LEU75E, LEU75F, LYS261E, LYS261F, LYS277E, LYS277F, LYS65E, LYS65F, MET191E, MET191F, MET271E, MET271F, MET62E, MET62F, MET64E, MET64F, MET66E, MET66F, MET91E, MET91F, PHE200E, PHE200F, PRO209E, PRO209F, PRO59E, PRO59F, PRO68E, PRO68F, PRO82E, PRO82F, SER266E, SER266F, SER270E, SER270F, SER71E, SER71F, SER89E, SER89F, THR199E, THR199F, THR255E, THR255F, THR268E, THR268F, THR85E, THR85F, THR93E, THR93F, TYR273E, TYR273F, VAL194E, VAL194F, VAL195E, VAL195F, VAL201E, VAL201F, VAL212E, VAL212F, VAL214E, VAL214F, VAL257E, VAL257F, VAL258E, VAL258F, VAL276E, VAL276F, VAL70E, VAL70F, VAL84E, VAL84F, VAL96E, VAL96F, VAL97E, VAL97F
• E-G: ALA260G, ALA262G, ALA290E, ARG249G, ARG313E, ARG333E, ASN252G, ASN329E, ASP248G, GLN231E, GLN240G, GLU203G, GLU241G, GLU242G, GLU256G, GLU259G, GLU304E, GLU321E, GLU330E, GLU332E, GLU337E, GLY206G, GLY253G, GLY263G, GLY291E, GLY326E, GLY335E, ILE243G, ILE293E, ILE334E, LEU205G, LEU246G, LEU325E, LEU328E, LEU336E, LYS233E, LYS311E, LYS338E, LYS340E, PHE200G, PHE238G, PRO126G, PRO327E, SER244G, SER324E, THR239G, THR255G, TYR245G, TYR323E, TYR331E, VAL201G, VAL204G, VAL258G, VAL302E, VAL322E
• E-H: ALA108H, ALA109H, ALA86H, ARG210E, ARG98H, ASN329E, ASP208E, ASP211E, ASP213E, GLN104H, GLN105H, GLU107H, GLY83H, GLY99H, HIS74H, HIS90H, LEU101H, LEU106H, LEU205E, LEU207E, LEU75H, LYS233E, PHE100H, PRO234E, PRO235E, PRO327E, PRO82H, SER230E, SER236E, SER237E, SER89H, THR85H, VAL212E, VAL232E, VAL96H, VAL97H
• G-H: ALA197G, ALA197H, ALA202G, ALA202H, ALA260G, ALA260H, ALA262G, ALA262H, ALA264G, ALA264H, ALA267G, ALA267H, ALA272G, ALA272H, ALA274G, ALA274H, ALA52G, ALA52H, ALA53G, ALA53H, ALA61G, ALA61H, ALA81G, ALA81H, ALA86G, ALA86H, ALA95G, ALA95H, ARG196G, ARG196H, ARG210G, ARG210H, ARG249G, ARG249H, ARG98G, ARG98H, ASN198G, ASN198H, ASN252G, ASN252H, ASN67G, ASN67H, ASN80G, ASN80H, ASP193G, ASP193H, ASP208G, ASP208H, ASP211G, ASP211H, ASP213G, ASP213H, ASP87G, ASP87H, ASP92G, ASP92H, GLN58G, GLN58H, GLU203G, GLU203H, GLU256G, GLU256H, GLU259G, GLU259H, GLY253G, GLY253H, GLY254G, GLY254H, GLY265G, GLY44G, GLY44H, GLY54G, GLY54H, GLY55G, GLY55H, GLY57G, GLY57H, GLY83G, GLY83H, GLY94G, GLY94H, HIS90G, HIS90H, ILE250G, ILE250H, ILE56G, ILE56H, ILE88G, ILE88H, LEU101G, LEU101H, LEU192G, LEU192H, LEU207G, LEU207H, LEU269G, LEU269H, LEU60G, LEU60H, LEU63G, LEU63H, LEU69G, LEU69H, LEU75G, LEU75H, LYS261G, LYS261H, LYS277G, LYS277H, LYS65G, LYS65H, MET191G, MET191H, MET271G, MET271H, MET62G, MET62H, MET64G, MET64H, MET66G, MET66H, MET91G, MET91H, PHE200G, PHE200H, PRO209G, PRO209H, PRO59G, PRO59H, PRO68G, PRO68H, PRO82G, PRO82H, SER266G, SER266H, SER270G, SER270H, SER71G, SER71H, SER89G, SER89H, THR199G, THR199H, THR255G, THR255H, THR268G, THR268H, THR85G, THR85H, THR93G, THR93H, TYR273G, TYR273H, VAL194G, VAL194H, VAL195G, VAL195H, VAL201H, VAL212G, VAL212H, VAL214G, VAL214H, VAL257G, VAL257H, VAL258G, VAL258H, VAL276G, VAL276H, VAL70G, VAL70H, VAL84G, VAL84H, VAL96G, VAL96H, VAL97G, VAL97H