1TWI

crystal structure of diaminopimelate decarboxylase from m. jannaschii in co-complex with l-lysine

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 346
  • Norm. En. per Res.: -4.6014
• Hub Node: A(1)

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	-328.0241	-190.6237	-1073.45	-1592.0977	346	52	30	44220	16	119	119
B-C	0.0	-8.1488	-7.8709	-16.0197	29	0	0	802	0	25	25
C-D	-290.3706	-179.5456	-1076.36	-1546.2762	342	51	26	44529	16	117	117

Interface residues

• A-B: ALA112B, ALA336A, ALA336B, ALA345A, ALA345B, ALA368A, ALA368B, ALA400A, ALA400B, ALA406A, ALA406B, ALA411A, ALA411B, ALA435A, ALA435B, ALA439A, ALA439B, ALA81A, ALA81B, ALA84A, ALA84B, ALA86A, ALA86B, ALA89A, ALA89B, ALA95A, ALA95B, ARG172A, ARG172B, ARG307A, ARG307B, ARG343A, ARG380A, ARG380B, ARG412A, ARG412B, ARG414A, ARG414B, ARG416A, ARG416B, ARG429A, ARG429B, ARG431A, ARG431B, ARG92A, ARG92B, ASN116A, ASN116B, ASN125A, ASN125B, ASN127A, ASN127B, ASN174A, ASN174B, ASN192A, ASN192B, ASN339A, ASN339B, ASN407A, ASN407B, ASN408A, ASN408B, ASN410A, ASN410B, ASN85A, ASN85B, ASN87A, ASN87B, ASP102A, ASP102B, ASP148A, ASP148B, ASP197A, ASP197B, ASP335A, ASP335B, ASP376A, ASP376B, ASP436A, ASP436B, ASP441A, ASP441B, CYS128A, CYS128B, CYS372A, CYS372B, GLU108A, GLU108B, GLU132A, GLU132B, GLU133A, GLU133B, GLU152A, GLU152B, GLU199A, GLU199B, GLU304A, GLU325A, GLU325B, GLU348B, GLU373A, GLU373B, GLU430A, GLU430B, GLU432A, GLU432B, GLU51A, GLU51B, GLY106A, GLY106B, GLY107A, GLY107B, GLY126A, GLY126B, GLY188A, GLY188B, GLY195A, GLY195B, GLY201A, GLY201B, GLY226A, GLY226B, GLY337A, GLY337B, GLY369A, GLY369B, GLY370A, GLY370B, GLY402A, GLY402B, GLY413A, GLY413B, GLY424A, GLY424B, HIS222A, HIS224A, HIS224B, HIS321A, HIS321B, HIS322A, HIS322B, HIS446A, HIS446B, ILE111A, ILE111B, ILE134A, ILE134B, ILE150A, ILE150B, ILE154A, ILE154B, ILE156A, ILE156B, ILE173A, ILE173B, ILE202A, ILE202B, ILE225B, ILE323A, ILE323B, ILE334A, ILE334B, ILE367A, ILE367B, ILE403A, ILE403B, ILE428A, ILE428B, ILE438A, ILE438B, ILE442A, ILE442B, ILE54A, ILE54B, ILE90A, ILE90B, LEU109A, LEU109B, LEU114A, LEU114B, LEU153A, LEU153B, LEU155A, LEU155B, LEU189A, LEU189B, LEU196A, LEU196B, LEU371A, LEU371B, LEU419A, LEU419B, LEU427A, LEU427B, LEU437A, LEU437B, LEU447A, LEU447B, LEU448A, LEU448B, LEU88A, LEU88B, LEU93A, LEU93B, LEU94A, LEU94B, LEU97A, LEU97B, LYS129A, LYS129B, LYS131A, LYS131B, LYS190A, LYS190B, LYS191A, LYS191B, LYS193A, LYS193B, LYS205A, LYS205B, LYS319A, LYS319B, LYS324A, LYS324B, LYS422A, LYS422B, LYS423A, LYS423B, LYS440A, LYS440B, LYS55A, LYS55B, LYS83A, LYS83B, LYS96A, LYS96B, MET136A, MET136B, MET333A, MET333B, MET338A, MET338B, MET342A, MET342B, MET346A, MET346B, MET405A, MET405B, MET417A, MET417B, PHE124A, PHE124B, PHE194A, PHE194B, PHE378A, PHE378B, PHE426A, PHE426B, PRO327A, PRO327B, PRO344B, PRO415A, PRO415B, PRO444A, PRO444B, PRO445A, PRO445B, PRO45A, PRO45B, SER105A, SER105B, SER115A, SER115B, SER149A, SER149B, SER151A, SER151B, SER186A, SER200A, SER200B, SER227A, SER227B, SER366A, SER366B, SER374A, SER374B, SER375A, SER375B, SER404A, SER404B, SER421A, SER421B, THR130A, THR130B, THR187A, THR187B, THR326A, THR326B, THR329A, THR329B, THR420A, THR420B, THR433A, THR433B, THR44A, THR44B, THR91A, THR91B, TRP331A, TRP331B, TYR110A, TYR110B, TYR347A, TYR347B, TYR401A, TYR401B, TYR409A, TYR409B, TYR434A, TYR434B, TYR82A, TYR82B, VAL103A, VAL103B, VAL104A, VAL104B, VAL147A, VAL147B, VAL198A, VAL198B, VAL320A, VAL320B, VAL328A, VAL328B, VAL332A, VAL332B, VAL377A, VAL377B, VAL389A, VAL389B, VAL418A, VAL418B, VAL425A, VAL425B, VAL443A, VAL443B
• B-C: ALA95C, ARG143C, ARG240B, ARG67B, ASN116C, ASN287B, ASN300C, ASP294B, CYS99C, GLU69C, GLU70B, GLU71B, GLU75C, GLY73C, GLY98C, ILE286B, ILE62C, LEU290B, LEU97C, LYS120C, LYS121C, LYS291B, LYS293B, LYS74C, LYS96C, PHE76C, PRO118C, SER119C, TYR58C
• C-D: ALA336C, ALA336D, ALA345C, ALA345D, ALA368C, ALA368D, ALA400C, ALA400D, ALA406C, ALA406D, ALA411C, ALA411D, ALA435C, ALA435D, ALA439C, ALA439D, ALA81C, ALA81D, ALA84C, ALA84D, ALA86C, ALA86D, ALA89C, ALA89D, ALA95C, ALA95D, ARG172C, ARG172D, ARG307C, ARG307D, ARG343C, ARG343D, ARG380C, ARG380D, ARG412C, ARG412D, ARG414C, ARG414D, ARG416C, ARG416D, ARG429C, ARG429D, ARG431C, ARG431D, ARG92C, ARG92D, ASN116C, ASN116D, ASN125C, ASN125D, ASN127C, ASN127D, ASN174C, ASN174D, ASN192C, ASN192D, ASN339C, ASN339D, ASN407C, ASN407D, ASN408C, ASN408D, ASN410C, ASN410D, ASN85C, ASN85D, ASN87C, ASN87D, ASP102C, ASP102D, ASP148C, ASP148D, ASP197C, ASP197D, ASP335C, ASP335D, ASP376C, ASP376D, ASP436C, ASP436D, ASP441C, ASP441D, CYS128C, CYS128D, CYS372C, CYS372D, GLU108C, GLU108D, GLU132C, GLU132D, GLU133C, GLU133D, GLU152C, GLU152D, GLU199C, GLU199D, GLU325C, GLU325D, GLU348C, GLU348D, GLU373C, GLU373D, GLU430C, GLU430D, GLU432C, GLU432D, GLU51C, GLU51D, GLY106C, GLY106D, GLY107C, GLY107D, GLY126C, GLY126D, GLY188C, GLY188D, GLY195C, GLY195D, GLY201C, GLY201D, GLY226C, GLY226D, GLY337C, GLY337D, GLY369C, GLY369D, GLY370C, GLY370D, GLY402C, GLY402D, GLY413C, GLY413D, GLY424C, GLY424D, HIS224C, HIS224D, HIS321C, HIS321D, HIS322C, HIS322D, HIS446C, HIS446D, ILE111C, ILE111D, ILE134C, ILE134D, ILE150C, ILE150D, ILE154C, ILE154D, ILE156C, ILE156D, ILE173C, ILE173D, ILE202C, ILE202D, ILE323C, ILE323D, ILE334C, ILE334D, ILE367C, ILE367D, ILE403C, ILE403D, ILE428C, ILE428D, ILE438C, ILE438D, ILE442C, ILE442D, ILE54C, ILE54D, ILE90C, ILE90D, LEU109C, LEU109D, LEU114C, LEU114D, LEU153C, LEU153D, LEU155C, LEU155D, LEU189C, LEU189D, LEU196C, LEU196D, LEU371C, LEU371D, LEU419C, LEU419D, LEU427C, LEU427D, LEU437C, LEU437D, LEU447C, LEU447D, LEU448C, LEU448D, LEU88C, LEU88D, LEU93C, LEU93D, LEU94C, LEU94D, LEU97C, LEU97D, LYS129C, LYS129D, LYS131C, LYS131D, LYS190C, LYS190D, LYS191C, LYS191D, LYS193C, LYS193D, LYS319C, LYS319D, LYS324C, LYS324D, LYS422C, LYS422D, LYS423C, LYS423D, LYS440C, LYS440D, LYS55C, LYS55D, LYS83C, LYS83D, LYS96C, LYS96D, MET136C, MET136D, MET333C, MET333D, MET338C, MET338D, MET342C, MET342D, MET346C, MET346D, MET405C, MET405D, MET417C, MET417D, PHE124C, PHE124D, PHE194C, PHE194D, PHE378C, PHE378D, PHE426C, PHE426D, PRO327C, PRO327D, PRO344C, PRO344D, PRO415C, PRO415D, PRO444C, PRO444D, PRO445C, PRO445D, PRO45C, PRO45D, SER105C, SER105D, SER115C, SER115D, SER149C, SER149D, SER151C, SER151D, SER200C, SER200D, SER227C, SER227D, SER366C, SER366D, SER374C, SER374D, SER375C, SER375D, SER404C, SER404D, SER421C, SER421D, THR130C, THR130D, THR187C, THR187D, THR326C, THR326D, THR329C, THR329D, THR420C, THR420D, THR433C, THR433D, THR44C, THR44D, THR91C, THR91D, TRP331C, TRP331D, TYR110C, TYR110D, TYR347C, TYR347D, TYR401C, TYR401D, TYR409C, TYR409D, TYR434C, TYR434D, TYR82C, TYR82D, VAL103C, VAL103D, VAL104C, VAL104D, VAL147C, VAL147D, VAL198C, VAL198D, VAL320C, VAL320D, VAL328C, VAL328D, VAL332C, VAL332D, VAL377C, VAL377D, VAL389C, VAL389D, VAL418C, VAL418D, VAL425C, VAL425D, VAL443C, VAL443D