1X2H

crystal structure of lipate-protein ligase a from escherichia coli complexed with lipoic acid

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 197
  • Norm. En. per Res.: -4.2537
• Hub Node: A(2)

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	-60.32	-44.5036	-263.484	-368.3076	111	15	0	9445	3	39	44
A-C	-94.6307	-236.4482	-506.904	-837.9829	197	24	6	21061	18	85	87
B-C	-4.6628	-28.3862	-29.1267	-62.1757	24	0	2	1601	2	10	7

Interface residues

• A-B: ALA232A, ALA232B, ALA236A, ALA236B, ALA248A, ALA248B, ALA250A, ALA250B, ALA40A, ALA40B, ARG160A, ARG160B, ARG237A, ARG38A, ARG38B, ARG58A, ARG58B, ARG59A, ARG59B, ARG66A, ARG66B, ASN16A, ASN16B, ASN223A, ASN223B, ASN39A, ASN39B, ASN50B, ASN64A, ASN64B, ASP12A, ASP12B, ASP41A, ASP41B, ASP63A, ASP63B, ASP80A, ASP80B, ASP9A, ASP9B, GLN247A, GLN247B, GLU197A, GLU197B, GLU233A, GLU233B, GLU242A, GLU242B, GLU61A, GLU61B, GLU62A, GLU62B, GLY246A, GLY246B, HIS196A, HIS196B, HIS79A, ILE219A, ILE219B, ILE7B, LEU67B, LEU81A, LEU81B, LYS224A, LYS224B, PHE15A, PHE15B, PHE231A, PHE231B, PHE235A, PHE235B, PHE245A, PHE245B, PHE78A, PHE78B, PRO13A, PRO13B, PRO222A, PRO222B, PRO226A, PRO226B, PRO249A, PRO249B, PRO51A, PRO51B, SER10A, SER10B, SER221A, SER221B, SER239A, SER239B, SER240A, SER240B, SER8A, SER8B, THR225A, THR225B, THR42A, THR42B, THR57A, THR57B, TRP14A, TRP14B, TRP241A, TRP241B, TRP52A, TRP52B, TYR11A, TYR11B, VAL65A, VAL65B
• A-C: ALA236A, ALA236C, ALA248A, ALA248C, ALA250A, ALA250C, ALA278A, ALA278C, ALA288A, ALA288C, ALA292A, ALA292C, ALA294A, ALA294C, ALA304A, ALA304C, ALA313A, ALA313C, ALA330C, ALA333A, ALA333C, ALA48A, ALA48C, ARG140A, ARG140C, ARG145A, ARG145C, ARG237A, ARG237C, ARG25A, ARG25C, ARG277A, ARG277C, ARG296A, ARG296C, ARG303A, ARG303C, ARG326A, ARG326C, ARG47A, ARG47C, ARG69A, ARG69C, ARG70A, ARG70C, ASN230C, ASN244A, ASN244C, ASN286A, ASN286C, ASP144A, ASP144C, ASP269A, ASP269C, ASP305A, ASP305C, ASP317A, ASP317C, CYS300A, CYS300C, CYS311A, CYS311C, GLN238A, GLN238C, GLN247A, GLN247C, GLN26A, GLN26C, GLN279A, GLN279C, GLN298A, GLN298C, GLN308A, GLN308C, GLN309A, GLN309C, GLN321A, GLN321C, GLN49A, GLN49C, GLU141A, GLU141C, GLU21A, GLU21C, GLU233A, GLU233C, GLU242A, GLU242C, GLU271A, GLU271C, GLU291A, GLU291C, GLU310A, GLU310C, GLU312A, GLU312C, GLU320A, GLU320C, GLU322A, GLU322C, GLU324A, GLU324C, GLY246A, GLY246C, GLY273A, GLY273C, GLY295A, GLY295C, GLY299A, GLY299C, GLY46A, GLY46C, GLY73A, GLY73C, GLY74A, HIS149A, HIS149C, HIS267A, HIS267C, HIS274A, HIS274C, ILE275A, ILE275C, LEU17C, LEU285A, LEU285C, LEU290A, LEU290C, LEU293A, LEU293C, LEU297A, LEU297C, LEU301A, LEU301C, LEU307A, LEU307C, LEU314A, LEU314C, LEU315A, LEU315C, LEU325A, LEU325C, LYS143A, LYS143C, LYS272A, LYS272C, LYS323A, LYS323C, LYS92C, PHE147A, PHE147C, PHE24A, PHE24C, PHE251A, PHE251C, PHE281A, PHE281C, PHE318A, PHE318C, PRO249A, PRO249C, PRO287A, PRO287C, PRO289A, PRO289C, PRO319A, PRO319C, SER239A, SER239C, SER240A, SER240C, SER284A, SER329A, SER329C, SER71A, SER71C, SER72A, SER72C, THR142A, THR142C, THR234A, THR234C, THR276A, THR276C, THR282A, THR282C, TRP241A, TRP241C, TRP243A, TRP243C, TYR139C, TYR302A, TYR302C, VAL280A, VAL280C, VAL316A, VAL316C
• B-C: ALA232B, ALA236B, ARG237B, ARG303C, ASN230B, ASP227B, ASP305C, GLN238B, GLU233B, GLU271C, GLY273C, HIS274C, LEU228B, LEU301C, LYS224B, LYS272C, PHE231B, PHE235B, PRO226B, PRO229B, SER240B, THR225B, THR234B, TYR302C