1W0D

the high resolution structure of mycobacterium tuberculosis leub (rv2995c)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 200
  • Norm. En. per Res.: -4.7991
• 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	-255.4371	-39.6307	-664.745	-959.8127	200	45	29	26526	12	40	40
A-C	-11.6626	10.3644	-108.553	-109.8512	63	3	0	4462	0	18	17
A-D	0.0	0.0	-0.5321	-0.5321	12	0	0	101	0	2	2
B-C	0.0	0.0	-0.026	-0.026	7	0	0	15	0	0	0
B-D	0.0	0.0	-5.4436	-5.4436	8	3	0	307	0	0	0
C-D	-236.4091	-42.0422	-665.578	-944.0293	202	30	28	26234	12	42	42

Interface residues

• A-B: ALA106A, ALA106B, ALA134A, ALA134B, ALA144A, ALA144B, ALA152A, ALA152B, ALA185A, ALA185B, ALA212A, ALA212B, ALA213A, ALA213B, ALA241A, ALA241B, ALA242A, ALA242B, ALA243A, ALA243B, ARG121A, ARG121B, ARG136A, ARG136B, ARG156A, ARG156B, ARG191A, ARG191B, ARG80A, ARG80B, ARG87A, ARG87B, ARG97A, ARG97B, ASN112A, ASN112B, ASN131A, ASN131B, ASN141A, ASN141B, ASN150A, ASN150B, ASN180A, ASN180B, ASN231A, ASN231B, ASP211A, ASP211B, ASP220A, ASP220B, ASP230A, ASP230B, ASP235A, ASP235B, ASP239A, ASP239B, CYS245A, CYS245B, GLU125A, GLU125B, GLU142A, GLU142B, GLU146A, GLU146B, GLU195A, GLU195B, GLU79A, GLU79B, GLY111A, GLY111B, GLY126A, GLY126B, GLY130A, GLY130B, GLY132A, GLY132B, GLY133A, GLY133B, GLY138A, GLY138B, GLY154A, GLY154B, GLY186A, GLY186B, GLY187A, GLY187B, GLY234A, GLY234B, GLY246A, GLY246B, GLY247A, GLY247B, GLY249A, GLY249B, GLY76A, GLY76B, HIS177A, HIS177B, HIS209A, HIS209B, HIS216A, HIS216B, ILE135A, ILE135B, ILE215A, ILE215B, ILE218A, ILE218B, ILE236A, ILE236B, ILE237A, ILE237B, ILE248A, ILE248B, LEU109A, LEU109B, LEU182A, LEU182B, LEU188A, LEU188B, LEU232A, LEU232B, LEU240A, LEU240B, LEU84A, LEU84B, LYS178A, LYS178B, MET217A, MET217B, PHE153A, PHE153B, PHE184A, PHE184B, PHE233A, PHE233B, PHE88A, PHE88B, PRO108A, PRO108B, PRO113A, PRO113B, PRO127A, PRO127B, PRO140A, PRO140B, PRO221A, PRO221B, SER107A, SER107B, SER110A, SER110B, SER148A, SER148B, SER75A, SER75B, THR129A, THR129B, THR139A, THR139B, THR145A, THR145B, THR151A, THR151B, THR179A, THR179B, THR183A, THR183B, THR192A, THR192B, THR214A, THR214B, THR219A, THR219B, THR238A, THR238B, TRP189A, TRP189B, TYR128A, TYR128B, VAL137A, VAL137B, VAL143A, VAL143B, VAL147A, VAL147B, VAL149A, VAL149B, VAL155A, VAL155B, VAL176A, VAL176B, VAL181A, VAL181B, VAL210A, VAL210B, VAL244A, VAL244B, VAL269A, VAL269B
• A-C: ALA106A, ALA106C, ALA313A, ALA313C, ALA316A, ALA316C, ARG100A, ARG100C, ARG170A, ARG170C, ARG223A, ARG223C, ARG318A, ARG318C, ASN112A, ASN112C, ASP116A, ASP116C, ASP220A, ASP220C, GLU312A, GLU321A, GLU321C, GLY104A, GLY104C, GLY111A, GLY111C, GLY114A, GLY114C, GLY222A, GLY222C, GLY319A, GLY319C, HIS314A, ILE115A, ILE115C, LEU101A, LEU101C, LEU109C, LEU315A, LEU315C, PHE224C, PRO103A, PRO103C, PRO108C, PRO113A, PRO113C, PRO221A, PRO221C, SER107A, SER107C, SER110A, SER110C, SER320A, SER320C, THR219A, THR219C, THR317A, THR317C, TYR102A, TYR102C, VAL105A, VAL105C
• A-D: ALA106A, ARG322A, ARG322D, GLY111A, ILE281A, LEU109A, PRO108D, SER107A, SER110A, SER110D, SER320A, SER320D
• B-C: GLY111C, LEU109C, PRO108B, SER107C, SER110B, SER110C, SER320C
• B-D: ASN112B, ASN112D, GLY111B, GLY111D, PRO113B, PRO113D, SER110B, SER110D
• C-D: ALA106C, ALA106D, ALA134C, ALA134D, ALA144C, ALA144D, ALA152C, ALA152D, ALA185C, ALA185D, ALA212C, ALA212D, ALA213C, ALA213D, ALA241C, ALA241D, ALA242C, ALA242D, ALA243C, ALA243D, ARG121C, ARG121D, ARG136C, ARG136D, ARG156C, ARG156D, ARG191C, ARG191D, ARG80C, ARG80D, ARG87C, ARG87D, ASN112C, ASN112D, ASN131C, ASN131D, ASN141C, ASN141D, ASN150C, ASN150D, ASN180C, ASN180D, ASN231C, ASN231D, ASP211C, ASP211D, ASP220C, ASP220D, ASP230C, ASP230D, ASP235C, ASP235D, ASP239C, ASP239D, CYS245C, CYS245D, GLU125C, GLU125D, GLU142C, GLU142D, GLU146C, GLU146D, GLU195C, GLU195D, GLU79C, GLU79D, GLY111C, GLY111D, GLY126C, GLY126D, GLY130C, GLY130D, GLY132C, GLY132D, GLY133C, GLY133D, GLY138C, GLY138D, GLY154C, GLY154D, GLY186C, GLY186D, GLY187C, GLY187D, GLY234C, GLY234D, GLY246C, GLY246D, GLY247C, GLY247D, GLY249C, GLY249D, GLY76C, GLY76D, HIS177C, HIS177D, HIS209C, HIS209D, HIS216C, HIS216D, HIS270D, ILE135C, ILE135D, ILE215C, ILE215D, ILE218C, ILE218D, ILE236C, ILE236D, ILE237C, ILE237D, ILE248C, ILE248D, LEU109C, LEU109D, LEU182C, LEU182D, LEU188C, LEU188D, LEU190C, LEU232C, LEU232D, LEU240C, LEU240D, LEU78D, LEU83D, LEU84C, LEU84D, LYS178C, LYS178D, MET217C, MET217D, PHE153C, PHE153D, PHE184C, PHE184D, PHE233C, PHE233D, PHE88D, PRO108C, PRO108D, PRO113C, PRO113D, PRO127C, PRO127D, PRO140C, PRO140D, PRO221C, PRO221D, SER107C, SER107D, SER110C, SER110D, SER148C, SER148D, SER75D, THR129C, THR129D, THR139C, THR139D, THR145C, THR145D, THR151C, THR151D, THR179C, THR179D, THR183C, THR183D, THR192C, THR192D, THR214C, THR214D, THR219C, THR219D, THR238C, THR238D, TRP189C, TRP189D, TYR128C, TYR128D, TYR207C, VAL137C, VAL137D, VAL143C, VAL143D, VAL147C, VAL147D, VAL149C, VAL149D, VAL155C, VAL155D, VAL176C, VAL176D, VAL181C, VAL181D, VAL210C, VAL210D, VAL244C, VAL244D, VAL269C, VAL269D, VAL77D