3L21

the crystal structure of a dimeric mutant of dihydrodipicolinate synthase (dapa, rv2753c) from mycobacterium tuberculosis - dhdps- a204r

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 139
  • Norm. En. per Res.: -3.5213
• Hub Node: A(4)

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	-32.0447	2.8305	-454.072	-483.2863	140	25	11	16686	0	25	28
A-C	-14.0295	-4.2768	-65.9577	-84.2639	57	2	0	2891	2	21	21
A-D	0.0	44.4718	-75.8714	-31.3996	56	1	2	3488	0	20	20
A-E	-9.5747	7.546	-78.0772	-80.1059	54	0	4	3341	0	10	9
B-D	0.0	0.0	-0.0037	-0.0037	4	0	0	3	0	2	0
C-D	-33.0732	11.3696	-452.571	-474.2746	138	23	11	16716	0	24	28
C-E	-5.3162	-10.69	-13.1466	-29.1529	30	0	0	728	2	8	10
C-F	0.0	-11.9011	-48.6514	-60.5525	65	0	0	2731	0	15	12
D-F	0.0	1.8156	-22.0562	-20.2405	27	2	0	856	0	10	13
E-F	-29.5648	-1.2796	-458.613	-489.4574	139	19	11	16778	0	27	28

Interface residues

• A-B: ALA127A, ALA127B, ALA131A, ALA131B, ALA150A, ALA150B, ALA280A, ALA280B, ALA281A, ALA281B, ALA93A, ALA93B, ARG123A, ARG123B, ARG148A, ARG148B, ARG253A, ARG253B, ARG275A, ARG275B, ARG97A, ARG97B, ASP91A, ASP91B, GLN122A, GLN122B, GLN126A, GLN126B, GLN278A, GLN278B, GLN285A, GLN285B, GLU284B, GLU57A, GLU57B, GLY124A, GLY124B, GLY147A, GLY147B, GLY255A, GLY255B, GLY256A, GLY256B, GLY53A, GLY53B, GLY88A, GLY88B, HIS128A, HIS128B, HIS94A, HIS94B, ILE145A, ILE145B, ILE286A, ILE286B, ILE96A, ILE96B, LEU111A, LEU111B, LEU125A, LEU125B, LEU254A, LEU254B, LEU276A, LEU276B, LYS119A, LYS119B, LYS66A, LYS66B, PHE129A, PHE129B, PRO115A, PRO115B, PRO120A, PRO120B, PRO121A, PRO121B, PRO146A, PRO146B, PRO274A, PRO274B, PRO277A, PRO277B, PRO283A, PRO283B, PRO59A, PRO59B, SER118A, SER118B, SER149A, SER149B, SER252B, SER52A, SER52B, SER58A, SER58B, SER95A, SER95B, THR114A, THR114B, THR130A, THR130B, THR258A, THR258B, THR282A, THR282B, THR54A, THR54B, THR55A, THR55B, THR60A, THR60B, THR61A, THR61B, THR62A, THR62B, THR89A, THR89B, THR92A, THR92B, TYR116A, TYR116B, TYR117A, TYR117B, TYR143A, TYR143B, TYR90A, TYR90B, VAL112A, VAL112B, VAL113A, VAL113B, VAL132A, VAL132B, VAL151A, VAL151B, VAL257A, VAL257B, VAL279A, VAL279B
• A-C: ALA150C, ALA175C, ALA181C, ALA32A, ALA35A, ALA38A, ALA76A, ARG148C, ARG159C, ARG204C, ARG265A, ARG300A, ARG36A, ARG80A, ASN39A, ASP144C, ASP156C, ASP176C, ASP270A, ASP30A, ASP43A, ASP79A, GLN122C, GLN182C, GLN267A, GLN44A, GLU154C, GLU75A, GLY147C, GLY180C, GLY268A, HIS178C, HIS40A, ILE145C, ILE153C, ILE183C, ILE269A, LEU177C, LEU198C, LEU266A, LEU299A, LEU37A, LYS119C, LYS174C, MET205C, PRO146C, PRO152C, PRO155C, SER149C, SER179C, SER252C, THR157C, THR33A, TRP202C, VAL151C, VAL42A, VAL77A
• A-D: ALA150D, ALA173D, ALA175D, ALA197D, ALA245D, ALA250D, ALA281A, ALA288A, ALA290A, ALA291A, ARG148D, ARG204D, ARG253A, ARG253D, ARG265A, ARG294A, ARG300A, ASN199D, ASN241D, ASN249D, ASP144D, ASP172D, ASP176D, ASP195D, ASP196D, ASP273A, ASP287A, ASP292A, GLN122D, GLN285A, GLU154D, GLU284A, GLY147D, ILE145D, ILE153D, ILE286A, LEU177D, LEU198D, LEU200D, LEU247D, LEU266A, LEU289A, LEU299A, LYS119D, LYS174D, MET251D, PRO146D, PRO152D, PRO155D, PRO201D, PRO246D, PRO283A, SER149D, SER252D, THR282A, VAL151D
• A-E: ALA175E, ALA181A, ALA185A, ALA197E, ALA228A, ALA235A, ALA237A, ALA237E, ALA243E, ALA245E, ALA250E, ARG204A, ARG204E, ARG238A, ARG238E, ARG253E, ASN199E, ASN241E, ASN249E, ASP195E, ASP196E, ASP233A, ASP292E, GLY206A, GLY230A, GLY232A, HIS178E, ILE234A, ILE234E, ILE242A, ILE242E, LEU177E, LEU198E, LEU200A, LEU200E, LEU203A, LEU203E, LEU225E, LYS239A, LYS239E, MET205A, MET205E, MET251E, PHE229A, PHE229E, PRO201A, PRO201E, PRO246E, SER227A, SER231A, SER252E, THR236A, TRP202E, VAL244E
• B-D: ARG123B, ARG238D, ASN249D, ASP156B
• C-D: ALA127C, ALA127D, ALA131C, ALA131D, ALA150C, ALA150D, ALA280C, ALA280D, ALA281C, ALA281D, ALA93C, ALA93D, ARG123C, ARG123D, ARG148C, ARG148D, ARG253C, ARG253D, ARG275C, ARG275D, ARG97C, ARG97D, ASP91C, ASP91D, GLN122C, GLN122D, GLN126C, GLN126D, GLN278C, GLN278D, GLN285C, GLN285D, GLU284D, GLU57C, GLU57D, GLY124C, GLY124D, GLY147C, GLY147D, GLY255C, GLY255D, GLY256C, GLY256D, GLY53C, GLY53D, GLY86D, GLY88C, GLY88D, HIS128C, HIS128D, HIS94C, HIS94D, ILE145C, ILE145D, ILE286C, ILE286D, ILE96C, ILE96D, LEU111C, LEU111D, LEU125C, LEU125D, LEU254C, LEU254D, LEU276C, LEU276D, LYS119C, LYS119D, LYS66C, LYS66D, MET251C, PHE129C, PHE129D, PRO115C, PRO115D, PRO120C, PRO120D, PRO121C, PRO121D, PRO146C, PRO146D, PRO274C, PRO274D, PRO277C, PRO277D, PRO283C, PRO283D, PRO59C, PRO59D, SER118C, SER118D, SER149C, SER149D, SER52D, SER58C, SER58D, SER95C, SER95D, THR114C, THR114D, THR130C, THR130D, THR258C, THR258D, THR282C, THR282D, THR54C, THR54D, THR55C, THR55D, THR60C, THR60D, THR61C, THR61D, THR62C, THR62D, THR89C, THR89D, THR92C, THR92D, TYR116C, TYR116D, TYR117C, TYR117D, TYR143C, TYR143D, TYR90C, TYR90D, VAL113C, VAL113D, VAL132C, VAL132D, VAL151C, VAL151D, VAL257C, VAL257D, VAL279C, VAL279D
• C-E: ALA150E, ALA288C, ALA290C, ALA291C, ALA295C, ALA296C, ARG123E, ARG294C, ARG300C, ASP156E, ASP287C, ASP292C, GLN122E, GLN182E, GLU154E, GLU284C, HIS178E, ILE242C, ILE286C, LEU299C, LYS119E, MET293C, PRO121E, PRO152E, PRO155E, PRO246C, PRO283C, SER179E, SER297C, VAL151E
• C-F: ALA173F, ALA175F, ALA197F, ALA243F, ALA245F, ALA250F, ALA280C, ALA281C, ALA288F, ALA290C, ARG148F, ARG238F, ARG253F, ARG265C, ARG294C, ARG300C, ASN241F, ASN249F, ASP176F, ASP195F, ASP196F, ASP26C, ASP270C, ASP273C, ASP287C, ASP292F, GLN267C, GLN285C, GLN285F, GLU284C, GLU284F, GLY147F, GLY194F, GLY255F, GLY25C, GLY268C, GLY272C, GLY27C, HIS178F, ILE145F, ILE242F, ILE269C, ILE286C, LEU177F, LEU198F, LEU254F, LEU264C, LEU266C, LEU276C, LEU299C, LYS174F, LYS239F, MET251F, PRO146F, PRO201F, PRO246F, PRO283C, SER193F, SER24C, SER252F, THR282C, THR282F, TRP202F, VAL271C, VAL279C
• D-F: ALA127D, ALA131D, ALA160D, ALA175F, ALA181F, ALA185F, ARG123D, ARG159D, ASP156D, ASP176F, ASP186F, GLN122D, GLN126D, GLN182F, GLY124D, HIS128D, HIS164D, HIS178F, LEU125D, LEU161D, LEU177F, LEU198F, MET205F, SER163D, SER179F, THR130D, THR157D
• E-F: ALA127E, ALA127F, ALA131E, ALA131F, ALA150E, ALA150F, ALA280E, ALA280F, ALA281E, ALA281F, ALA93E, ALA93F, ARG123E, ARG123F, ARG148E, ARG148F, ARG253E, ARG253F, ARG275E, ARG275F, ARG97E, ARG97F, ASP91E, ASP91F, GLN122E, GLN122F, GLN126E, GLN126F, GLN278E, GLN278F, GLN285E, GLN285F, GLU284E, GLU57E, GLU57F, GLY124E, GLY124F, GLY147E, GLY147F, GLY255E, GLY255F, GLY256E, GLY256F, GLY53E, GLY53F, GLY56E, GLY56F, GLY88E, GLY88F, HIS128E, HIS128F, HIS94E, HIS94F, ILE145E, ILE145F, ILE286E, ILE286F, ILE96E, ILE96F, LEU111E, LEU111F, LEU125E, LEU125F, LEU254E, LEU254F, LEU276E, LEU276F, LYS119E, LYS119F, LYS66E, LYS66F, PHE129E, PHE129F, PRO115E, PRO115F, PRO120E, PRO120F, PRO121E, PRO121F, PRO146E, PRO146F, PRO274E, PRO274F, PRO277E, PRO277F, PRO283E, PRO283F, PRO59E, PRO59F, SER118E, SER118F, SER149E, SER149F, SER52E, SER52F, SER58E, SER58F, SER95E, SER95F, THR114E, THR114F, THR130E, THR130F, THR258E, THR258F, THR282E, THR282F, THR54E, THR54F, THR55E, THR55F, THR60E, THR60F, THR61E, THR61F, THR62E, THR62F, THR89E, THR89F, THR92E, THR92F, TYR116E, TYR116F, TYR117E, TYR117F, TYR143E, TYR143F, TYR90E, TYR90F, VAL113E, VAL113F, VAL132E, VAL132F, VAL151E, VAL151F, VAL257E, VAL257F, VAL279E, VAL279F