3Q6I

crystal structure of fabg4 and coenzyme binary complex

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 243
  • Norm. En. per Res.: -4.0554
• 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	-113.7091	-47.6406	-843.008	-1004.3577	261	38	26	34440	2	34	44
A-C	0.0	-18.439	-23.1731	-41.6121	55	2	0	1687	1	45	41
C-D	-119.2327	-50.6414	-815.595	-985.469	243	39	25	32549	2	37	45

Interface residues

• A-B: ALA129A, ALA129B, ALA137A, ALA137B, ALA140A, ALA140B, ALA23A, ALA23B, ALA305A, ALA305B, ALA310A, ALA310B, ALA317A, ALA317B, ALA322A, ALA322B, ALA349A, ALA349B, ALA352A, ALA352B, ALA361A, ALA361B, ALA365A, ALA365B, ALA373A, ALA373B, ALA375A, ALA375B, ALA404A, ALA404B, ALA450A, ALA450B, ALA454A, ALA454B, ALA97A, ALA97B, ARG111A, ARG111B, ARG135A, ARG135B, ARG139A, ARG139B, ARG146A, ARG146B, ARG153A, ARG153B, ARG24A, ARG24B, ARG311A, ARG311B, ARG325A, ARG325B, ARG355A, ARG355B, ARG406A, ARG445A, ARG445B, ASN112A, ASN112B, ASN133A, ASN133B, ASN306A, ASN306B, ASN354A, ASN354B, ASN359A, ASN359B, ASP308A, ASP308B, ASP309A, ASP309B, ASP313A, ASP313B, CYS447A, CYS447B, GLN138A, GLN138B, GLN192A, GLN192B, GLN25A, GLN25B, GLN357A, GLN357B, GLN372A, GLN372B, GLN449A, GLN449B, GLU104A, GLU104B, GLU127A, GLU127B, GLU134A, GLU134B, GLU142A, GLU142B, GLU151A, GLU151B, GLU328A, GLU328B, GLU407A, GLU95A, GLU95B, GLY101A, GLY101B, GLY143A, GLY143B, GLY149A, GLY149B, GLY191A, GLY191B, GLY27A, GLY350A, GLY350B, GLY353A, GLY353B, GLY356A, GLY356B, GLY366A, GLY366B, GLY369A, GLY369B, GLY377A, GLY377B, GLY409A, GLY409B, GLY441A, GLY441B, GLY453A, GLY453B, GLY98A, GLY98B, HIS103A, HIS103B, ILE136A, ILE136B, ILE348A, ILE348B, ILE351A, ILE351B, ILE368A, ILE368B, ILE370A, ILE370B, ILE385A, ILE385B, ILE401A, ILE452A, ILE452B, ILE93A, ILE93B, LEU102A, LEU102B, LEU110A, LEU110B, LEU141A, LEU141B, LEU148A, LEU148B, LEU152A, LEU152B, LEU22A, LEU22B, LEU26A, LEU26B, LEU303A, LEU303B, LEU304A, LEU304B, LEU316A, LEU316B, LEU320A, LEU320B, LEU321A, LEU321B, LEU324A, LEU324B, LEU374A, LEU374B, LEU378A, LEU378B, LEU403A, LEU412A, LEU412B, LEU416A, LEU416B, LEU99A, LEU99B, LYS100A, LYS100B, LYS150A, LYS150B, LYS302A, LYS302B, LYS364A, LYS364B, MET307A, MET307B, MET367A, MET367B, MET451A, MET451B, PHE105A, PHE105B, PHE106A, PHE106B, PHE144A, PHE144B, PHE21A, PHE21B, PRO108A, PRO108B, PRO126A, PRO126B, PRO29A, PRO323B, PRO376A, PRO376B, PRO402A, PRO96A, PRO96B, SER131A, SER131B, SER147A, SER147B, SER20B, SER346A, SER346B, SER414B, THR107A, THR107B, THR132A, THR132B, THR145A, THR145B, THR158A, THR158B, THR358A, THR358B, THR362A, THR362B, THR363A, THR363B, THR371A, THR371B, THR405A, TRP312A, TRP312B, TYR162A, TYR162B, TYR360A, TYR360B, VAL109A, VAL109B, VAL119A, VAL119B, VAL193A, VAL193B, VAL408A, VAL408B, VAL443A, VAL443B
• A-C: ALA205C, ALA234A, ALA253A, ALA256A, ALA39A, ARG235A, ARG38A, ASP200C, ASP206A, ASP206C, ASP212A, ASP212C, ASP283C, ASP290C, GLU208A, GLU208C, GLU231A, GLU250A, GLU254A, GLU338C, GLU41A, GLY213A, GLY213C, GLY237A, GLY237C, GLY260A, GLY261A, GLY286C, GLY287C, GLY337C, GLY339C, GLY382C, GLY40A, HIS239A, HIS239C, HIS284C, HIS285C, LEU281C, LYS168C, LYS209A, LYS209C, LYS214C, LYS258A, LYS288C, PRO203C, PRO204C, PRO434C, SER201C, SER257A, THR202C, THR255A, TYR37A, VAL215C, VAL259A, VAL422A
• C-D: ALA129C, ALA129D, ALA137C, ALA137D, ALA140C, ALA140D, ALA305C, ALA305D, ALA310C, ALA310D, ALA317C, ALA317D, ALA322C, ALA349C, ALA349D, ALA352C, ALA352D, ALA361C, ALA361D, ALA365C, ALA365D, ALA373C, ALA373D, ALA375C, ALA375D, ALA450C, ALA450D, ALA454C, ALA454D, ALA97C, ALA97D, ARG111C, ARG111D, ARG135C, ARG135D, ARG139C, ARG139D, ARG146C, ARG146D, ARG153C, ARG153D, ARG311C, ARG311D, ARG325C, ARG325D, ARG355C, ARG355D, ARG445C, ARG445D, ASN112C, ASN112D, ASN133C, ASN133D, ASN306C, ASN306D, ASN354C, ASN354D, ASN359C, ASN359D, ASP301C, ASP308C, ASP308D, ASP309C, ASP309D, ASP313C, ASP313D, CYS447C, CYS447D, GLN138C, GLN138D, GLN192C, GLN192D, GLN357C, GLN357D, GLN372C, GLN372D, GLN449C, GLN449D, GLU104C, GLU104D, GLU127C, GLU127D, GLU134C, GLU134D, GLU142C, GLU142D, GLU151C, GLU151D, GLU328C, GLU328D, GLU95C, GLU95D, GLY101C, GLY101D, GLY143C, GLY143D, GLY149C, GLY149D, GLY191C, GLY191D, GLY350C, GLY350D, GLY353C, GLY353D, GLY356C, GLY356D, GLY366C, GLY366D, GLY369C, GLY369D, GLY377C, GLY377D, GLY409C, GLY409D, GLY441C, GLY441D, GLY453C, GLY453D, GLY98C, GLY98D, HIS103C, HIS103D, ILE136C, ILE136D, ILE348C, ILE348D, ILE351C, ILE351D, ILE368C, ILE368D, ILE370C, ILE370D, ILE385C, ILE385D, ILE452C, ILE452D, ILE93C, ILE93D, LEU102C, LEU102D, LEU110C, LEU110D, LEU113C, LEU141C, LEU141D, LEU148C, LEU148D, LEU152C, LEU152D, LEU303C, LEU303D, LEU304C, LEU304D, LEU316C, LEU316D, LEU320C, LEU320D, LEU321C, LEU321D, LEU324C, LEU324D, LEU374C, LEU374D, LEU378C, LEU378D, LEU412C, LEU412D, LEU416C, LEU416D, LEU86D, LEU99C, LEU99D, LYS100C, LYS100D, LYS150C, LYS150D, LYS302C, LYS302D, LYS364C, LYS364D, MET307C, MET307D, MET367C, MET367D, MET451C, MET451D, PHE105C, PHE105D, PHE106C, PHE106D, PHE144C, PHE144D, PRO108C, PRO108D, PRO126C, PRO126D, PRO29C, PRO29D, PRO323C, PRO376C, PRO376D, PRO96C, PRO96D, SER131C, SER131D, SER147C, SER147D, SER346C, SER346D, SER414C, SER414D, THR107C, THR107D, THR132C, THR132D, THR145C, THR145D, THR158C, THR158D, THR327C, THR358C, THR358D, THR362C, THR362D, THR363C, THR363D, THR371C, THR371D, TRP312C, TRP312D, TYR162C, TYR162D, TYR360C, TYR360D, VAL109C, VAL109D, VAL119C, VAL119D, VAL193C, VAL193D, VAL408C, VAL443C, VAL443D