3LLS

crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase from mycobacterium tuberculosis

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 514
  • Norm. En. per Res.: -6.4265
• 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	-579.5068	-185.777	-2537.96	-3303.2438	514	107	113	97071	14	81	73

Interface residues

• A-B: ALA129A, ALA129B, ALA137A, ALA137B, ALA140A, ALA140B, ALA156A, ALA156B, ALA159A, ALA159B, ALA167A, ALA167B, ALA184A, ALA184B, ALA187A, ALA187B, ALA198A, ALA198B, ALA205A, ALA205B, ALA216A, ALA216B, ALA227A, ALA227B, ALA230A, ALA230B, ALA234B, ALA238A, ALA238B, ALA305A, ALA305B, ALA310A, ALA310B, ALA317A, ALA317B, ALA322A, ALA322B, ALA349A, ALA349B, ALA352A, ALA352B, ALA361A, ALA361B, ALA365A, ALA365B, ALA373A, ALA373B, ALA375A, ALA375B, ALA379A, ALA379B, ALA380A, ALA380B, ALA387A, ALA387B, ALA389A, ALA389B, ALA425A, ALA425B, ALA427A, ALA427B, ALA429A, ALA429B, ALA432A, ALA432B, ALA435A, ALA435B, ALA438A, ALA438B, ALA450A, ALA450B, ALA454A, ALA454B, ALA97A, ALA97B, ARG111A, ARG111B, ARG118A, ARG118B, ARG135A, ARG135B, ARG139A, ARG139B, ARG146A, ARG146B, ARG153A, ARG153B, ARG154A, ARG154B, ARG179A, ARG179B, ARG223A, ARG223B, ARG235A, ARG235B, ARG311A, ARG311B, ARG325A, ARG325B, ARG341A, ARG341B, ARG355A, ARG355B, ARG35A, ARG35B, ARG36A, ARG36B, ARG38A, ARG38B, ARG410A, ARG410B, ARG411A, ARG411B, ARG445A, ARG445B, ASN112A, ASN112B, ASN133A, ASN133B, ASN294A, ASN294B, ASN295A, ASN295B, ASN306A, ASN306B, ASN354A, ASN354B, ASN359A, ASN359B, ASN386A, ASN386B, ASN413A, ASN413B, ASN437A, ASN437B, ASN442A, ASN442B, ASP190A, ASP190B, ASP199A, ASP199B, ASP200A, ASP200B, ASP206A, ASP206B, ASP212A, ASP212B, ASP236A, ASP236B, ASP290A, ASP290B, ASP301B, ASP308A, ASP308B, ASP309A, ASP309B, ASP313A, ASP313B, ASP423A, ASP423B, CYS116A, CYS116B, CYS447A, CYS447B, GLN138A, GLN138B, GLN192A, GLN192B, GLN30A, GLN357A, GLN357B, GLN372A, GLN372B, GLN417A, GLN417B, GLN420A, GLN420B, GLN449A, GLN449B, GLU104A, GLU104B, GLU127A, GLU127B, GLU134A, GLU134B, GLU142A, GLU142B, GLU151A, GLU151B, GLU175A, GLU175B, GLU231A, GLU231B, GLU328A, GLU328B, GLU32A, GLU32B, GLU394A, GLU394B, GLU426A, GLU426B, GLU95A, GLU95B, GLY101A, GLY101B, GLY117A, GLY117B, GLY143A, GLY143B, GLY149A, GLY149B, GLY155A, GLY155B, GLY173A, GLY173B, GLY191A, GLY191B, GLY197A, GLY197B, GLY224A, GLY224B, GLY226A, GLY226B, GLY339A, GLY339B, GLY340A, GLY340B, GLY344A, GLY344B, GLY350A, GLY350B, GLY353A, GLY353B, GLY356A, GLY356B, GLY366A, GLY366B, GLY369A, GLY369B, GLY377A, GLY377B, GLY382A, GLY382B, GLY391A, GLY391B, GLY418A, GLY418B, GLY419A, GLY419B, GLY441A, GLY441B, GLY448A, GLY448B, GLY453A, GLY453B, GLY98A, GLY98B, HIS103A, HIS103B, ILE136A, ILE136B, ILE217A, ILE225A, ILE225B, ILE229A, ILE229B, ILE291A, ILE291B, ILE343A, ILE343B, ILE348A, ILE348B, ILE351A, ILE351B, ILE368A, ILE368B, ILE370A, ILE370B, ILE383A, ILE383B, ILE385A, ILE385B, ILE393A, ILE393B, ILE428A, ILE428B, ILE444A, ILE444B, ILE452A, ILE452B, ILE93A, ILE93B, LEU102A, LEU102B, LEU110A, LEU110B, LEU113B, LEU141A, LEU141B, LEU148A, LEU148B, LEU152A, LEU152B, LEU160A, LEU160B, LEU163A, LEU163B, LEU174A, LEU174B, LEU181A, LEU181B, LEU211A, LEU211B, LEU292A, LEU292B, LEU303A, LEU303B, LEU304A, LEU304B, LEU316A, LEU316B, LEU320A, LEU320B, LEU321A, LEU321B, LEU324A, LEU324B, LEU345A, LEU345B, LEU34A, LEU34B, LEU374A, LEU374B, LEU378A, LEU378B, LEU412A, LEU412B, LEU415A, LEU415B, LEU416A, LEU416B, LEU86A, LEU86B, LEU99A, LEU99B, LYS100A, LYS100B, LYS150A, LYS150B, LYS185A, LYS185B, LYS209A, LYS209B, LYS214A, LYS214B, LYS302A, LYS302B, LYS364A, LYS364B, MET178A, MET178B, MET307A, MET307B, MET367A, MET367B, MET451A, MET451B, PHE105A, PHE105B, PHE106A, PHE106B, PHE144A, PHE144B, PHE180A, PHE180B, PHE194A, PHE194B, PHE233A, PHE233B, PHE392A, PHE392B, PHE431A, PHE431B, PRO108A, PRO108B, PRO126A, PRO126B, PRO203A, PRO203B, PRO204A, PRO204B, PRO210A, PRO210B, PRO29A, PRO31A, PRO31B, PRO323A, PRO376A, PRO376B, PRO390A, PRO390B, PRO421A, PRO421B, PRO434A, PRO434B, PRO96A, PRO96B, SER131A, SER131B, SER147A, SER147B, SER164A, SER164B, SER176A, SER176B, SER183A, SER183B, SER186A, SER186B, SER195A, SER195B, SER201A, SER201B, SER346A, SER346B, SER347A, SER347B, SER414A, SER414B, SER433A, SER433B, SER436A, SER436B, THR107A, THR107B, THR132A, THR132B, THR145A, THR145B, THR157A, THR157B, THR158A, THR158B, THR172A, THR172B, THR177A, THR177B, THR202A, THR202B, THR228A, THR228B, THR327A, THR327B, THR33A, THR33B, THR358A, THR358B, THR362A, THR362B, THR363A, THR363B, THR371A, THR371B, THR384A, THR384B, THR440A, THR440B, TRP207A, TRP207B, TRP312A, TRP312B, TYR162A, TYR162B, TYR188A, TYR188B, TYR360A, TYR360B, TYR37A, TYR37B, TYR430A, TYR430B, VAL109A, VAL109B, VAL119A, VAL119B, VAL121B, VAL161A, VAL161B, VAL189A, VAL189B, VAL193A, VAL193B, VAL196A, VAL196B, VAL218A, VAL218B, VAL232A, VAL232B, VAL293A, VAL293B, VAL342A, VAL342B, VAL388A, VAL388B, VAL422A, VAL422B, VAL424A, VAL424B, VAL439A, VAL439B, VAL443A, VAL443B, VAL446A, VAL446B