2F9I

crystal structure of the carboxyltransferase subunit of acc from staphylococcus aureus

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 86
  • Norm. En. per Res.: -4.9909
• 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	-82.4377	-48.5108	-681.226	-812.1744	206	27	23	27485	9	41	53
A-C	-8.1729	-15.5997	-67.1716	-90.9441	36	2	1	2547	0	48	40
A-D	-75.0919	-70.6993	-283.425	-429.2161	86	12	3	10169	6	41	41
B-C	-54.8817	-73.6563	-288.31	-416.848	87	9	3	10296	6	43	41
C-D	-83.9698	-46.8344	-691.271	-822.0752	207	23	23	27696	9	42	51

Interface residues

• A-B: ALA128A, ALA159A, ALA164A, ALA165A, ALA168B, ALA175A, ALA182A, ALA201A, ALA207A, ALA211B, ALA214B, ALA226A, ALA227A, ALA228A, ALA231B, ALA240A, ALA241A, ALA299A, ALA86B, ARG133B, ARG134A, ARG147B, ARG168A, ARG169B, ARG189B, ARG233B, ARG234B, ARG302A, ARG307A, ASN124A, ASN177A, ASN220B, ASN241B, ASN300A, ASN308A, ASN87B, ASP150B, ASP192B, ASP250A, ASP296A, ASP301A, ASP80B, ASP90B, CYS146B, GLN170A, GLN171B, GLN179B, GLN238B, GLN249B, GLN259B, GLU109B, GLU143B, GLU166A, GLU167A, GLU172A, GLU172B, GLU180A, GLU237B, GLU242A, GLU242B, GLU256B, GLU297A, GLU304A, GLU314A, GLY138B, GLY142B, GLY158A, GLY162A, GLY166B, GLY167B, GLY169A, GLY173B, GLY181B, GLY196A, GLY197A, GLY199A, GLY200A, GLY203A, GLY205A, GLY207B, GLY208B, GLY217B, GLY225A, GLY229B, GLY232B, GLY255A, GLY258B, GLY310A, GLY82B, HIS129A, HIS190B, HIS257B, ILE141B, ILE145B, ILE148B, ILE149B, ILE154A, ILE174A, ILE174B, ILE175B, ILE179A, ILE206A, ILE221A, ILE228B, ILE236B, ILE239A, ILE240B, ILE246A, ILE251A, ILE256A, ILE257A, ILE309A, ILE313A, LEU177B, LEU178A, LEU184A, LEU187B, LEU201B, LEU202A, LEU229A, LEU230A, LEU244B, LEU254A, LEU254B, LEU89B, LEU95B, LYS108B, LYS141A, LYS144B, LYS157A, LYS163A, LYS182B, LYS185A, LYS188B, LYS243B, LYS245A, LYS252A, LYS305A, LYS81B, LYS97B, MET127A, MET134B, MET137B, MET170B, MET178B, MET180B, MET181A, MET212A, MET244A, MET83B, PHE213B, PHE230B, PHE248B, PHE253B, PHE303A, PHE306A, PHE91B, PRO130A, PRO161A, PRO245B, PRO88B, PRO92B, SER136B, SER139B, SER171A, SER173A, SER176B, SER183A, SER184B, SER186B, SER191B, SER198A, SER210B, SER212B, SER215B, SER219A, SER222A, SER311A, SER85B, SER93B, THR153B, THR176A, THR183B, THR205B, THR206B, THR217A, THR239B, THR243A, THR247A, THR84B, TRP231A, TYR133A, TYR151B, TYR160A, TYR197B, TYR218A, TYR312A, TYR94B, VAL140B, VAL185B, VAL192A, VAL209B, VAL210A, VAL216B, VAL220A, VAL235B
• A-C: ALA164A, ALA164C, ARG134A, ARG134C, ARG138A, ARG138C, ARG168A, ARG168C, ARG86A, ARG86C, ARG89A, ARG89C, ASN87A, ASN87C, ASP85A, ASP85C, GLU131A, GLU131C, GLU167A, GLU167C, GLU172A, GLU172C, GLY169A, GLY169C, ILE179A, ILE179C, LYS145A, LYS145C, PHE88A, PHE88C, PRO130A, PRO130C, SER173A, SER173C, THR176A, THR176C
• A-D: ALA105A, ALA143A, ALA193D, ALA214D, ARG104A, ARG138A, ARG148A, ARG156D, ARG86A, ARG89A, ASN147A, ASN220D, ASN87A, ASP192D, ASP218D, ASP261D, ASP268D, ASP77A, ASP85A, ASP90A, ASP91A, GLN142A, GLN259D, GLN271D, GLN281D, GLU131A, GLU256D, GLU275D, GLU282D, GLU81A, GLY103A, GLY194D, GLY217D, GLY258D, GLY84A, GLY96A, GLY97A, GLY99A, HIS190D, HIS257D, HIS280D, HIS83A, ILE198D, ILE219D, ILE276D, ILE279D, ILE98A, LEU139A, LEU187D, LEU195D, LEU196D, LEU201D, LEU221D, LEU254D, LEU255D, LEU260D, LEU273D, LEU277D, LEU82A, LYS135A, LYS145A, LYS188D, LYS262D, LYS278D, MET80A, PHE100A, PHE146A, PHE253D, PHE79A, PHE88A, PRO158D, PRO92A, SER191D, SER199D, SER215D, SER274D, SER78A, THR107A, THR272D, TYR122A, TYR197D, VAL106A, VAL216D, VAL263D, VAL264D, VAL283D
• B-C: ALA105C, ALA143C, ALA193B, ALA214B, ARG104C, ARG138C, ARG148C, ARG156B, ARG295C, ARG86C, ARG89C, ASN220B, ASN87C, ASP192B, ASP218B, ASP261B, ASP268B, ASP77C, ASP85C, ASP90C, ASP91C, GLN142C, GLN259B, GLN271B, GLN281B, GLU131C, GLU256B, GLU275B, GLU282B, GLU81C, GLY103C, GLY194B, GLY217B, GLY258B, GLY84C, GLY96C, GLY97C, GLY99C, HIS190B, HIS257B, HIS280B, HIS83C, ILE198B, ILE219B, ILE276B, ILE279B, ILE98C, LEU139C, LEU187B, LEU195B, LEU196B, LEU201B, LEU221B, LEU254B, LEU255B, LEU260B, LEU273B, LEU277B, LEU82C, LYS135C, LYS145C, LYS188B, LYS262B, LYS278B, MET269B, MET80C, PHE100C, PHE146C, PHE253B, PHE79C, PHE88C, PRO158B, PRO92C, SER191B, SER199B, SER215B, SER274B, SER78C, THR107C, THR272B, TYR122C, TYR197B, VAL106C, VAL216B, VAL263B, VAL264B, VAL283B
• C-D: ALA128C, ALA159C, ALA164C, ALA165C, ALA168D, ALA175C, ALA182C, ALA201C, ALA207C, ALA211D, ALA214D, ALA226C, ALA227C, ALA228C, ALA231D, ALA240C, ALA241C, ALA299C, ALA86D, ARG133D, ARG134C, ARG147D, ARG168C, ARG169D, ARG189D, ARG233D, ARG234D, ARG302C, ARG307C, ASN124C, ASN177C, ASN220D, ASN241D, ASN300C, ASN308C, ASN87D, ASP150D, ASP192D, ASP250C, ASP296C, ASP301C, ASP80D, ASP90D, CYS146D, GLN170C, GLN171D, GLN179D, GLN238D, GLN249D, GLN259D, GLU109D, GLU143D, GLU166C, GLU167C, GLU172C, GLU172D, GLU180C, GLU237D, GLU242C, GLU242D, GLU256D, GLU297C, GLU304C, GLU314C, GLY138D, GLY142D, GLY158C, GLY162C, GLY166D, GLY167D, GLY169C, GLY173D, GLY181D, GLY196C, GLY197C, GLY199C, GLY200C, GLY203C, GLY205C, GLY207D, GLY208D, GLY217D, GLY225C, GLY229D, GLY232D, GLY255C, GLY258D, GLY310C, GLY82D, HIS129C, HIS190D, HIS257D, ILE141D, ILE145D, ILE148D, ILE149D, ILE154C, ILE174C, ILE174D, ILE175D, ILE179C, ILE206C, ILE221C, ILE228D, ILE236D, ILE239C, ILE240D, ILE246C, ILE251C, ILE256C, ILE257C, ILE309C, ILE313C, LEU137C, LEU177D, LEU178C, LEU184C, LEU187D, LEU201D, LEU202C, LEU229C, LEU230C, LEU244D, LEU254C, LEU254D, LEU89D, LEU95D, LYS141C, LYS144D, LYS157C, LYS163C, LYS182D, LYS185C, LYS188D, LYS232C, LYS243D, LYS245C, LYS252C, LYS305C, LYS81D, LYS97D, MET127C, MET134D, MET137D, MET170D, MET178D, MET180D, MET181C, MET212C, MET244C, MET83D, PHE213D, PHE230D, PHE248D, PHE253D, PHE303C, PHE306C, PHE91D, PRO130C, PRO161C, PRO245D, PRO88D, PRO92D, SER136D, SER139D, SER171C, SER173C, SER176D, SER183C, SER184D, SER186D, SER191D, SER198C, SER210D, SER212D, SER215D, SER219C, SER222C, SER311C, SER85D, SER93D, THR153D, THR176C, THR183D, THR205D, THR206D, THR217C, THR239D, THR243C, THR247C, THR84D, TRP231C, TYR133C, TYR151D, TYR160C, TYR197D, TYR218C, TYR312C, TYR94D, VAL140D, VAL185D, VAL192C, VAL209D, VAL210C, VAL216D, VAL220C, VAL235D