2PAN

crystal structure of e. coli glyoxylate carboligase

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: C-E
  • Int. Res.: 367
  • Norm. En. per Res.: -3.5432
• Hub Node: C(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	-2.2202	29.721	-318.003	-290.5022	142	9	3	13299	2	51	59
A-C	-11.2191	45.3524	-14.1914	19.942	15	1	0	391	3	15	16
B-D	0.0	0.0	-0.0413	-0.0413	4	0	0	11	0	4	4
C-D	-25.405	16.0832	-329.479	-338.8009	145	9	3	13649	2	52	59
C-E	-117.3346	-64.1438	-1118.86	-1300.3384	367	30	25	43081	11	95	80
C-F	-5.0392	-1.8406	-34.4031	-41.2829	24	4	0	1326	4	25	31
D-E	-11.2214	0.9246	-40.1271	-50.4238	30	3	0	1423	4	32	31
D-F	-119.5853	-62.0762	-1109.67	-1291.3315	367	23	26	43038	12	96	82
E-F	-10.0678	27.9548	-299.319	-281.432	138	9	3	12839	1	50	57

Interface residues

• A-B: ALA136A, ALA136B, ALA137A, ALA137B, ALA146A, ALA146B, ALA187A, ALA187B, ALA188A, ALA188B, ALA2A, ALA2B, ALA6A, ARG106A, ARG106B, ARG134A, ARG134B, ARG141A, ARG141B, ARG154A, ARG154B, ARG190A, ARG190B, ARG310A, ARG310B, ASP174A, ASP174B, ASP176A, ASP176B, ASP302A, ASP302B, ASP315A, ASP315B, CYS313A, CYS313B, GLN144A, GLN144B, GLN145A, GLN145B, GLN192A, GLN192B, GLN307A, GLN307B, GLU135A, GLU135B, GLU170A, GLU170B, GLU172A, GLU172B, GLU179A, GLU179B, GLU304A, GLU304B, GLY153A, GLY153B, GLY309A, GLY309B, GLY317A, GLY317B, HIS148A, HIS148B, HIS300A, HIS300B, ILE171A, ILE171B, ILE298A, ILE298B, ILE301A, ILE301B, ILE303A, ILE303B, ILE308A, ILE308B, ILE318A, ILE318B, LEU138A, LEU138B, LEU143A, LEU143B, LEU149A, LEU149B, LEU181A, LEU181B, LEU312A, LEU312B, LEU316A, LEU316B, LYS124A, LYS124B, LYS128A, LYS128B, LYS185A, LYS185B, LYS195A, LYS195B, LYS297A, LYS297B, LYS3A, LYS3B, PHE173A, PHE173B, PRO125A, PRO125B, PRO140A, PRO140B, PRO180A, PRO180B, PRO182A, PRO182B, PRO186A, PRO186B, PRO305A, PRO305B, PRO314A, PRO314B, SER152A, SER152B, SER189A, SER189B, SER320A, SER320B, THR306A, THR306B, TYR178A, TYR178B, TYR184A, TYR184B, VAL131A, VAL131B, VAL133A, VAL133B, VAL139A, VAL139B, VAL142A, VAL142B, VAL183A, VAL183B, VAL289B, VAL311A, VAL311B, VAL319A, VAL319B
• A-C: ALA2A, ARG205C, ARG38A, ARG5A, ASP272C, ASP351C, GLN202C, GLN354C, GLU170A, GLU204C, GLU347C, ILE171A, LYS39A, LYS3A, VAL168A
• B-D: ALA2D, GLU294B, LYS291B, LYS3D
• C-D: ALA136C, ALA136D, ALA137C, ALA137D, ALA146C, ALA146D, ALA187C, ALA187D, ALA188C, ALA188D, ALA2C, ALA2D, ALA6C, ARG106C, ARG106D, ARG134C, ARG134D, ARG141C, ARG141D, ARG154C, ARG154D, ARG190C, ARG190D, ARG310C, ARG310D, ASP174C, ASP174D, ASP176C, ASP176D, ASP302C, ASP302D, ASP315C, ASP315D, ASP321C, ASP321D, CYS313C, CYS313D, GLN144C, GLN144D, GLN145C, GLN145D, GLN192C, GLN192D, GLN307C, GLN307D, GLU135C, GLU135D, GLU170C, GLU170D, GLU172C, GLU172D, GLU179C, GLU179D, GLU304C, GLU304D, GLY153C, GLY153D, GLY309C, GLY309D, GLY317C, GLY317D, HIS148C, HIS148D, HIS300C, HIS300D, ILE171C, ILE171D, ILE193C, ILE298C, ILE298D, ILE301C, ILE301D, ILE303C, ILE303D, ILE308C, ILE308D, ILE318C, ILE318D, LEU138C, LEU138D, LEU143C, LEU143D, LEU149C, LEU149D, LEU181C, LEU181D, LEU312C, LEU312D, LEU316C, LEU316D, LYS124C, LYS124D, LYS128C, LYS128D, LYS185C, LYS185D, LYS195C, LYS195D, LYS297C, LYS3C, LYS3D, PHE173C, PHE173D, PRO125C, PRO125D, PRO140C, PRO140D, PRO175D, PRO180C, PRO180D, PRO182C, PRO182D, PRO186C, PRO186D, PRO305C, PRO305D, PRO314C, PRO314D, SER152C, SER152D, SER189C, SER189D, SER320C, SER320D, THR306C, THR306D, TYR178C, TYR178D, TYR184C, TYR184D, VAL131C, VAL131D, VAL133C, VAL133D, VAL139C, VAL139D, VAL142C, VAL142D, VAL183C, VAL183D, VAL289C, VAL311C, VAL311D, VAL319C, VAL319D
• C-E: ALA104C, ALA104E, ALA116C, ALA116E, ALA121C, ALA121E, ALA123C, ALA123E, ALA22C, ALA22E, ALA282C, ALA282E, ALA28C, ALA28E, ALA29C, ALA29E, ALA36C, ALA36E, ALA418C, ALA418E, ALA457C, ALA457E, ALA460C, ALA460E, ALA474C, ALA474E, ALA485C, ALA485E, ALA48C, ALA48E, ALA495C, ALA495E, ALA515C, ALA515E, ALA522C, ALA522E, ALA54C, ALA54E, ALA79C, ALA79E, ALA86C, ALA86E, ALA92C, ALA92E, ARG108C, ARG108E, ARG154C, ARG154E, ARG280C, ARG280E, ARG284C, ARG284E, ARG310C, ARG310E, ARG38C, ARG38E, ARG44C, ARG44E, ARG480C, ARG480E, ARG484C, ARG484E, ARG49C, ARG49E, ARG546C, ARG546E, ARG557C, ARG557E, ARG5C, ARG5E, ASN283C, ASN283E, ASN31C, ASN31E, ASN414C, ASN414E, ASN463C, ASN463E, ASN498C, ASN498E, ASN500C, ASN500E, ASP113C, ASP113E, ASP118C, ASP118E, ASP446C, ASP446E, ASP448C, ASP448E, ASP487C, ASP487E, ASP489C, ASP489E, ASP510C, ASP510E, ASP82C, ASP82E, ASP93E, CYS415C, CYS415E, CYS491C, CYS491E, CYS520C, CYS520E, GLN103C, GLN103E, GLN115C, GLN115E, GLN167C, GLN167E, GLN258C, GLN258E, GLN307C, GLN307E, GLN397C, GLN397E, GLN417C, GLN417E, GLN450C, GLN450E, GLN461C, GLN461E, GLN481C, GLN481E, GLN483C, GLN483E, GLN493C, GLN493E, GLN544C, GLN544E, GLU112C, GLU112E, GLU120C, GLU120E, GLU290C, GLU290E, GLU304C, GLU454C, GLU454E, GLU455C, GLU455E, GLU497C, GLU497E, GLU516C, GLU516E, GLU52C, GLU52E, GLU566C, GLU566E, GLY24C, GLY24E, GLY27C, GLY27E, GLY287C, GLY287E, GLY309C, GLY309E, GLY394C, GLY394E, GLY416C, GLY416E, GLY419C, GLY419E, GLY41C, GLY41E, GLY422C, GLY422E, GLY42C, GLY506C, GLY508C, GLY508E, GLY517C, GLY517E, GLY519C, GLY519E, GLY53C, GLY53E, GLY77C, GLY77E, GLY80C, GLY80E, HIS110C, HIS110E, HIS285C, HIS285E, HIS45C, HIS45E, HIS50C, HIS50E, HIS511C, HIS511E, HIS56C, HIS56E, ILE119C, ILE119E, ILE122C, ILE122E, ILE30C, ILE30E, ILE393C, ILE393E, ILE398C, ILE398E, ILE43C, ILE43E, ILE453C, ILE453E, ILE46C, ILE46E, ILE479C, ILE479E, ILE499C, ILE499E, ILE84C, ILE84E, LEU109C, LEU109E, LEU238C, LEU238E, LEU257C, LEU257E, LEU312C, LEU312E, LEU421C, LEU421E, LEU452C, LEU452E, LEU456C, LEU456E, LEU476C, LEU476E, LEU478C, LEU478E, LEU47C, LEU47E, LEU494C, LEU494E, LEU518C, LEU518E, LEU541C, LEU541E, LEU73C, LEU73E, LEU87C, LEU87E, LYS111C, LYS111E, LYS124C, LYS124E, LYS39C, LYS39E, LYS513C, LYS513E, LYS521C, LYS521E, PHE114C, PHE114E, PHE164C, PHE164E, PHE281C, PHE281E, PHE33C, PHE33E, PHE447C, PHE447E, PHE449C, PHE449E, PHE451C, PHE451E, PHE462C, PHE462E, PHE486C, PHE486E, PHE496C, PHE496E, PRO105C, PRO105E, PRO125C, PRO125E, PRO26C, PRO26E, PRO32C, PRO32E, PRO420C, PRO420E, PRO548C, PRO548E, PRO78C, PRO78E, SER127C, SER127E, SER288C, SER288E, SER35C, SER35E, SER482C, SER482E, SER501C, SER501E, SER565C, SER565E, SER76C, SER76E, SER89C, SER89E, SER91C, SER91E, SER94C, SER94E, THR286C, THR286E, THR306C, THR306E, THR392C, THR392E, THR75C, THR75E, THR81C, THR81E, THR85C, THR85E, TRP423E, TYR34C, TYR34E, TYR475C, TYR475E, TYR490C, TYR490E, TYR507C, TYR507E, TYR545C, TYR545E, TYR88C, TYR88E, VAL117C, VAL117E, VAL126C, VAL126E, VAL168C, VAL168E, VAL25C, VAL25E, VAL289C, VAL289E, VAL311C, VAL311E, VAL458C, VAL458E, VAL492C, VAL492E, VAL504C, VAL504E, VAL509C, VAL509E, VAL512C, VAL512E, VAL514C, VAL514E, VAL51C, VAL51E, VAL547C, VAL547E, VAL549C, VAL549E, VAL7C, VAL7E
• C-F: ALA107C, ALA107F, ALA136C, ALA136F, ARG106C, ARG106F, ARG108C, ARG108F, ARG134C, ARG134F, GLU120C, GLU120F, GLU135C, GLU135F, HIS110C, HIS110F, LEU109C, LEU109F, LEU138C, LEU138F, LYS111C, LYS111F, THR132C, THR132F
• D-E: ALA107D, ALA107E, ALA121D, ALA136D, ALA136E, ARG106D, ARG106E, ARG108D, ARG134D, ARG134E, ASP118D, GLU120D, GLU120E, GLU135D, GLU135E, HIS110D, HIS110E, LEU109D, LEU109E, LEU138D, LEU138E, LYS111D, LYS111E, LYS124E, THR132D, THR132E, VAL131D, VAL131E, VAL133D, VAL133E
• D-F: ALA104D, ALA104F, ALA116D, ALA116F, ALA121D, ALA121F, ALA123D, ALA123F, ALA22D, ALA22F, ALA282D, ALA282F, ALA28D, ALA28F, ALA29D, ALA29F, ALA36D, ALA36F, ALA418D, ALA418F, ALA457D, ALA457F, ALA460D, ALA460F, ALA474D, ALA474F, ALA485D, ALA485F, ALA48D, ALA48F, ALA495D, ALA495F, ALA515D, ALA515F, ALA522D, ALA522F, ALA54D, ALA54F, ALA79D, ALA79F, ALA86D, ALA86F, ALA92D, ALA92F, ARG108D, ARG108F, ARG154D, ARG154F, ARG280D, ARG280F, ARG284D, ARG284F, ARG310D, ARG310F, ARG38D, ARG38F, ARG44D, ARG44F, ARG480D, ARG480F, ARG484D, ARG484F, ARG49D, ARG49F, ARG546D, ARG546F, ARG557D, ARG557F, ARG5D, ARG5F, ASN283D, ASN283F, ASN31D, ASN31F, ASN414D, ASN414F, ASN463D, ASN463F, ASN498D, ASN498F, ASN500D, ASN500F, ASP113D, ASP113F, ASP118D, ASP118F, ASP446D, ASP446F, ASP448D, ASP448F, ASP487D, ASP487F, ASP489D, ASP489F, ASP510D, ASP510F, ASP82D, ASP82F, ASP93F, CYS415D, CYS415F, CYS491D, CYS491F, CYS520D, CYS520F, GLN103D, GLN103F, GLN115D, GLN115F, GLN167D, GLN167F, GLN258D, GLN258F, GLN307D, GLN307F, GLN397D, GLN397F, GLN417D, GLN417F, GLN450D, GLN450F, GLN461D, GLN461F, GLN481D, GLN481F, GLN483D, GLN483F, GLN493D, GLN493F, GLN544D, GLN544F, GLU112D, GLU112F, GLU120D, GLU120F, GLU290D, GLU290F, GLU304D, GLU454D, GLU454F, GLU455D, GLU455F, GLU497D, GLU497F, GLU516D, GLU516F, GLU52D, GLU52F, GLU566D, GLU566F, GLY24D, GLY24F, GLY27D, GLY27F, GLY287D, GLY287F, GLY309D, GLY309F, GLY394D, GLY394F, GLY416D, GLY416F, GLY419D, GLY419F, GLY41D, GLY41F, GLY422D, GLY422F, GLY42F, GLY508D, GLY508F, GLY517D, GLY517F, GLY519D, GLY519F, GLY53D, GLY53F, GLY77D, GLY77F, GLY80D, GLY80F, HIS110D, HIS110F, HIS285D, HIS285F, HIS40D, HIS45D, HIS45F, HIS50D, HIS50F, HIS511D, HIS511F, HIS56D, HIS56F, ILE119D, ILE119F, ILE122D, ILE122F, ILE30D, ILE30F, ILE393D, ILE393F, ILE398D, ILE398F, ILE43D, ILE43F, ILE453D, ILE453F, ILE46D, ILE46F, ILE479D, ILE479F, ILE499D, ILE499F, ILE84D, ILE84F, LEU109D, LEU109F, LEU238D, LEU238F, LEU257D, LEU257F, LEU312D, LEU312F, LEU421D, LEU421F, LEU452D, LEU452F, LEU456D, LEU456F, LEU476D, LEU476F, LEU478D, LEU478F, LEU47D, LEU47F, LEU494D, LEU494F, LEU518D, LEU518F, LEU541D, LEU541F, LEU73D, LEU73F, LEU87D, LEU87F, LYS111D, LYS111F, LYS124D, LYS124F, LYS39D, LYS39F, LYS513D, LYS513F, LYS521D, LYS521F, PHE114D, PHE114F, PHE164D, PHE164F, PHE281D, PHE281F, PHE33D, PHE33F, PHE447D, PHE447F, PHE449D, PHE449F, PHE451D, PHE451F, PHE462D, PHE462F, PHE486D, PHE486F, PHE496D, PHE496F, PRO105D, PRO105F, PRO125D, PRO125F, PRO26D, PRO26F, PRO32D, PRO32F, PRO420D, PRO420F, PRO548D, PRO548F, PRO78D, PRO78F, SER127D, SER127F, SER288D, SER288F, SER35D, SER35F, SER482D, SER482F, SER501D, SER501F, SER565D, SER565F, SER76D, SER76F, SER89D, SER89F, SER91D, SER91F, SER94D, SER94F, THR286D, THR286F, THR306D, THR306F, THR392D, THR392F, THR75D, THR75F, THR81D, THR81F, THR85D, THR85F, TRP423D, TYR34D, TYR34F, TYR475D, TYR475F, TYR490D, TYR490F, TYR507D, TYR507F, TYR545D, TYR545F, TYR88D, TYR88F, VAL117D, VAL117F, VAL126D, VAL126F, VAL168D, VAL168F, VAL25D, VAL25F, VAL289D, VAL289F, VAL311D, VAL311F, VAL458D, VAL458F, VAL492D, VAL492F, VAL504D, VAL504F, VAL509D, VAL509F, VAL512D, VAL512F, VAL514D, VAL514F, VAL51D, VAL51F, VAL547D, VAL547F, VAL549D, VAL549F, VAL7D, VAL7F
• E-F: ALA136E, ALA136F, ALA137E, ALA137F, ALA146E, ALA146F, ALA187E, ALA187F, ALA188E, ALA188F, ALA2E, ALA2F, ARG106E, ARG106F, ARG134E, ARG134F, ARG141E, ARG141F, ARG154E, ARG154F, ARG190E, ARG190F, ARG310E, ARG310F, ASP174E, ASP174F, ASP176E, ASP176F, ASP302E, ASP302F, ASP315E, ASP315F, CYS313E, CYS313F, GLN144E, GLN144F, GLN145E, GLN145F, GLN192E, GLN192F, GLN307E, GLN307F, GLU135E, GLU135F, GLU170E, GLU170F, GLU172E, GLU172F, GLU179E, GLU179F, GLU304E, GLU304F, GLY153E, GLY153F, GLY309E, GLY309F, GLY317E, GLY317F, HIS148E, HIS148F, HIS300E, HIS300F, ILE171E, ILE171F, ILE298E, ILE298F, ILE301E, ILE301F, ILE303E, ILE303F, ILE308E, ILE308F, ILE318E, ILE318F, LEU138E, LEU138F, LEU143E, LEU143F, LEU149E, LEU181E, LEU181F, LEU312E, LEU312F, LEU316E, LEU316F, LYS124E, LYS124F, LYS128F, LYS185E, LYS185F, LYS195E, LYS195F, LYS297E, LYS297F, LYS3E, LYS3F, PHE173E, PHE173F, PRO125E, PRO125F, PRO140E, PRO140F, PRO180E, PRO180F, PRO182E, PRO182F, PRO186E, PRO186F, PRO305E, PRO305F, PRO314E, PRO314F, SER152E, SER152F, SER189E, SER189F, SER320E, SER320F, THR306E, THR306F, TYR178E, TYR178F, TYR184E, TYR184F, VAL131E, VAL131F, VAL133E, VAL133F, VAL139E, VAL139F, VAL142E, VAL142F, VAL183E, VAL183F, VAL311E, VAL311F, VAL319E, VAL319F