1U0R

crystal structure of mycobacterium tuberculosis nad kinase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 157
  • Norm. En. per Res.: -4.1562
• 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	-37.132	-15.0618	-238.262	-290.4559	113	19	4	9188	2	23	22
A-C	0.0	4.4383	-25.2147	-20.7764	25	2	3	1337	0	0	8
A-D	-112.8324	-30.0409	-512.151	-655.0243	163	30	20	21352	4	23	33
B-C	-118.3636	-10.0839	-524.074	-652.5215	157	32	23	21719	4	23	33
B-D	0.0	4.4243	-27.3437	-22.9194	26	2	3	1355	0	0	4
C-D	-57.0824	-34.5492	-230.227	-321.8586	110	18	4	8741	2	26	22

Interface residues

• A-B: ALA201A, ALA201B, ALA203A, ALA203B, ALA206A, ALA206B, ALA225A, ALA225B, ALA227A, ALA227B, ALA252A, ALA252B, ARG109A, ARG168A, ARG168B, ARG259A, ARG259B, ARG260A, ARG260B, ARG298A, ARG298B, ASN223A, ASN223B, ASN224A, ASN224B, ASP189A, ASP189B, ASP257A, ASP257B, CYS188A, CYS188B, CYS256A, CYS256B, GLU164A, GLU164B, GLU261A, GLU261B, GLY166A, GLY166B, GLY170A, GLY170B, GLY187A, GLY187B, GLY190A, GLY190B, GLY198A, GLY198B, GLY207A, GLY207B, GLY230A, GLY230B, GLY258A, GLY258B, HIS226A, HIS226B, LEU163A, LEU163B, LEU169A, LEU169B, LEU172A, LEU172B, LEU192A, LEU192B, LEU228A, LEU228B, LEU253A, LEU253B, LEU293A, LEU293B, LEU299A, LEU299B, LYS165A, LYS165B, LYS296A, LYS296B, PHE112A, PHE112B, PHE186A, PHE186B, PHE204A, PHE204B, PHE229A, PHE229B, PHE255A, PHE255B, PHE297A, PHE297B, PRO167A, PRO167B, PRO222A, PRO222B, PRO300A, PRO300B, SER162A, SER162B, SER199A, SER199B, SER205A, SER205B, THR200A, THR200B, TYR202A, TYR202B, VAL171A, VAL171B, VAL210A, VAL210B, VAL221A, VAL221B, VAL254A, VAL254B, VAL294A, VAL294B
• A-C: ALA225A, ALA225C, ALA227A, ALA227C, ARG231A, ARG231C, ARG298A, ARG298C, ASN224A, ASN224C, GLY230A, GLY230C, HIS226A, HIS226C, LEU228A, LEU228C, PHE229A, PHE229C, PHE297A, PHE297C, PRO300A, PRO300C, SER184C, THR302A, THR302C
• A-D: ALA185A, ALA185D, ALA201A, ALA201D, ALA203A, ALA203D, ALA206A, ALA206D, ALA217A, ALA217D, ALA227A, ALA227D, ALA239A, ALA239D, ALA242A, ALA242D, ALA247A, ALA247D, ALA287A, ALA287D, ARG146A, ARG146D, ARG181A, ARG181D, ARG231A, ARG231D, ARG269A, ARG269D, ARG292A, ARG292D, ARG295A, ARG298A, ARG298D, ARG305A, ARG305D, ASP179A, ASP179D, ASP214A, ASP214D, ASP291A, ASP291D, GLN147A, GLN147D, GLU177A, GLU177D, GLU216A, GLU216D, GLU238A, GLU238D, GLU244A, GLU244D, GLU246A, GLU246D, GLU271A, GLU271D, GLY148A, GLY148D, GLY149A, GLY149D, GLY180A, GLY180D, GLY207A, GLY207D, GLY208A, GLY208D, GLY230A, GLY230D, GLY267A, GLY267D, GLY303A, GLY303D, HIS226D, ILE178A, ILE178D, ILE218A, ILE218D, ILE241A, ILE241D, ILE243D, LEU211A, LEU211D, LEU215A, LEU215D, LEU219A, LEU219D, LEU228A, LEU228D, LEU293A, LEU293D, LEU299A, LEU299D, MET233A, MET233D, PHE186A, PHE186D, PHE204A, PHE204D, PHE229A, PHE229D, PHE289A, PHE289D, PHE297A, PHE297D, PRO182A, PRO182D, PRO196A, PRO196D, PRO209A, PRO209D, PRO213A, PRO213D, PRO232A, PRO232D, PRO237A, PRO237D, PRO288A, PRO288D, PRO300A, PRO300D, SER184A, SER184D, SER199A, SER199D, SER205A, SER205D, SER236A, SER236D, SER268A, SER268D, THR200A, THR200D, THR235A, THR235D, THR290A, THR290D, THR302A, THR302D, TRP212A, TRP212D, TRP304A, TRP304D, TYR202A, TYR202D, VAL174A, VAL174D, VAL175A, VAL175D, VAL176A, VAL176D, VAL183A, VAL183D, VAL210A, VAL210D, VAL220A, VAL220D, VAL221A, VAL221D, VAL234A, VAL234D, VAL294A, VAL294D, VAL301A, VAL301D
• B-C: ALA185B, ALA185C, ALA201B, ALA201C, ALA203B, ALA203C, ALA206B, ALA206C, ALA217B, ALA217C, ALA227B, ALA227C, ALA239B, ALA239C, ALA242B, ALA242C, ALA247B, ALA247C, ALA287B, ALA287C, ARG146B, ARG146C, ARG181B, ARG181C, ARG231B, ARG231C, ARG269B, ARG269C, ARG292B, ARG292C, ARG298B, ARG298C, ARG305B, ARG305C, ASP179B, ASP179C, ASP214B, ASP214C, ASP291B, ASP291C, GLU177B, GLU177C, GLU216B, GLU216C, GLU238B, GLU238C, GLU244B, GLU244C, GLU246B, GLU246C, GLU271B, GLU271C, GLY148C, GLY149B, GLY149C, GLY180B, GLY180C, GLY207B, GLY207C, GLY208B, GLY208C, GLY230B, GLY230C, GLY267C, GLY303B, GLY303C, HIS226B, ILE178B, ILE178C, ILE218B, ILE218C, ILE241B, ILE241C, ILE243B, ILE243C, LEU211B, LEU211C, LEU215B, LEU215C, LEU219B, LEU219C, LEU228B, LEU228C, LEU293B, LEU293C, LEU299B, LEU299C, MET233B, MET233C, PHE186B, PHE186C, PHE204B, PHE204C, PHE229B, PHE229C, PHE289B, PHE289C, PHE297B, PHE297C, PRO182B, PRO182C, PRO196B, PRO196C, PRO209B, PRO209C, PRO213B, PRO213C, PRO232B, PRO232C, PRO237B, PRO237C, PRO288B, PRO288C, PRO300B, PRO300C, SER184B, SER184C, SER199B, SER199C, SER205B, SER205C, SER236B, SER236C, THR200B, THR235B, THR235C, THR240B, THR290B, THR290C, THR302B, THR302C, TRP212B, TRP212C, TRP304B, TRP304C, TYR202B, TYR202C, VAL174B, VAL174C, VAL175B, VAL175C, VAL176B, VAL176C, VAL183B, VAL183C, VAL210B, VAL210C, VAL220B, VAL220C, VAL221B, VAL221C, VAL234B, VAL234C, VAL294B, VAL294C, VAL301B, VAL301C
• B-D: ALA225B, ALA225D, ALA227B, ALA227D, ARG231B, ARG231D, ARG298B, ARG298D, ASN224B, ASN224D, GLY230B, GLY230D, HIS226B, HIS226D, LEU228B, LEU228D, PHE229B, PHE229D, PHE297B, PHE297D, PRO300B, PRO300D, SER184D, THR302B, THR302D, VAL301B
• C-D: ALA201C, ALA201D, ALA203C, ALA203D, ALA206C, ALA206D, ALA225C, ALA225D, ALA227C, ALA227D, ALA252C, ALA252D, ARG109C, ARG168C, ARG168D, ARG259C, ARG259D, ARG260C, ARG260D, ARG298C, ARG298D, ASN223C, ASN223D, ASN224C, ASN224D, ASP189C, ASP189D, ASP251C, ASP251D, ASP257C, ASP257D, CYS188C, CYS188D, CYS256D, GLU164C, GLU164D, GLU261C, GLU261D, GLY166C, GLY166D, GLY170C, GLY170D, GLY187C, GLY187D, GLY190C, GLY190D, GLY198C, GLY198D, GLY207C, GLY207D, GLY208D, GLY230D, GLY258C, GLY258D, HIS226C, HIS226D, LEU163C, LEU163D, LEU169C, LEU169D, LEU172D, LEU192C, LEU192D, LEU228C, LEU228D, LEU253C, LEU253D, LEU293C, LEU293D, LEU299C, LEU299D, LYS165C, LYS165D, LYS296C, LYS296D, PHE112C, PHE112D, PHE204C, PHE204D, PHE229C, PHE229D, PHE255C, PHE255D, PHE297C, PHE297D, PRO167C, PRO167D, PRO222C, PRO222D, PRO300C, PRO300D, SER162C, SER162D, SER199C, SER199D, SER205C, SER205D, THR200C, THR200D, TYR202C, TYR202D, VAL171C, VAL171D, VAL210C, VAL210D, VAL221C, VAL221D, VAL254D, VAL294C, VAL294D