3IT6

the crystal structure of ornithine acetyltransferase complexed with ornithine from mycobacterium tuberculosis (rv1653) at 2.4 a

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 208
  • Norm. En. per Res.: -5.9206
• 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	-262.4967	-25.556	-943.438	-1231.4906	208	36	40	36059	3	37	27
A-D	-25.1685	-30.6626	-137.778	-193.6091	67	4	4	5545	1	4	4
B-C	-19.6921	-23.7783	-126.707	-170.1774	62	4	4	5433	2	4	4
B-D	-68.2144	-7.8326	-286.013	-362.0601	101	4	5	10971	2	32	24
C-D	-276.0615	-32.6902	-915.469	-1224.2207	209	41	40	35517	4	37	27

Interface residues

• A-B: ALA123A, ALA13A, ALA160A, ALA161A, ALA175A, ALA188A, ALA18A, ALA191A, ALA195A, ALA199A, ALA209B, ALA20A, ALA210B, ALA211B, ALA214B, ALA215B, ALA219B, ALA223B, ALA224B, ALA225B, ALA24A, ALA250B, ALA256B, ALA258B, ALA263B, ALA273B, ALA277B, ALA279B, ALA40A, ALA50A, ALA51A, ALA52A, ALA62A, ALA63A, ALA79A, ALA87A, ALA89A, ARG12A, ARG218B, ARG221B, ARG222B, ARG230B, ARG23A, ARG266B, ARG304B, ARG308B, ARG387B, ARG57A, ARG76A, ARG78A, ARG9A, ASN169A, ASN181A, ASN240B, ASN399B, ASN44A, ASN58A, ASN83A, ASN88A, ASP168A, ASP180A, ASP208B, ASP229B, ASP232B, ASP234B, ASP241B, ASP259B, ASP261B, ASP269B, ASP270B, ASP278B, ASP48A, CYS125A, CYS203B, CYS237B, CYS268B, CYS272B, CYS90A, GLN14A, GLN173A, GLN257B, GLN274B, GLN276B, GLN59A, GLN69A, GLU121A, GLU212B, GLU217B, GLU252B, GLU262B, GLU280B, GLU398B, GLU45A, GLY128A, GLY131A, GLY15A, GLY185A, GLY186A, GLY190A, GLY192A, GLY21A, GLY235B, GLY249B, GLY281B, GLY46A, GLY53A, GLY75A, GLY86A, HIS177A, HIS178A, HIS179A, ILE130A, ILE164A, ILE233B, ILE253B, ILE386B, ILE81A, LEU10A, LEU11A, LEU129A, LEU176A, LEU194A, LEU198A, LEU202B, LEU205B, LEU216B, LEU220B, LEU231B, LEU244B, LEU245B, LEU246B, LEU260B, LEU265B, LEU271B, LEU275B, LEU41A, LEU66A, LEU72A, LEU77A, LEU82A, LYS172A, LYS189A, LYS61A, MET165A, MET187A, MET193A, MET201B, PHE228B, PHE22A, PHE43A, PHE55A, PRO171A, PRO196A, PRO19A, PRO213B, PRO254B, PRO255B, PRO47A, PRO64A, SER126A, SER197A, SER236B, SER238B, SER247B, SER248B, SER251B, SER403B, SER404B, SER84A, THR127A, THR166A, THR167A, THR17A, THR183A, THR200B, THR206B, THR207B, THR227B, THR239B, THR242B, THR388B, THR389B, THR56A, THR68A, THR73A, THR74A, THR8A, TRP182A, TYR395B, TYR402B, TYR49A, VAL122A, VAL124A, VAL16A, VAL170A, VAL174A, VAL184A, VAL204B, VAL243B, VAL264B, VAL267B, VAL282B, VAL42A, VAL54A, VAL60A, VAL65A, VAL71A, VAL80A
• A-D: ALA191A, ALA195A, ALA328D, ALA329D, ALA333D, ALA358D, ALA361D, ALA87A, ALA89A, ALA94A, ARG133A, ARG325D, ARG341D, ARG362D, ARG57A, ASN322D, ASN58A, ASP132A, ASP309D, ASP320D, ASP338D, ASP340D, CYS352D, CYS90A, GLN305D, GLN59A, GLY131A, GLY192A, GLY324D, GLY331D, GLY355D, GLY357D, GLY92A, GLY95A, HIS354D, ILE130A, ILE335D, ILE342D, LEU129A, LEU194A, LEU198A, LEU311D, LEU327D, LEU337D, LEU377D, LEU66A, LYS61A, MET193A, MET332D, PRO196A, PRO334D, PRO339D, PRO93A, SER197A, SER310D, THR167A, THR336D, THR56A, THR91A, TRP323D, VAL312D, VAL326D, VAL330D, VAL351D, VAL353D, VAL356D, VAL60A
• B-C: ALA191C, ALA195C, ALA328B, ALA329B, ALA333B, ALA361B, ALA89C, ALA94C, ARG133C, ARG325B, ARG341B, ARG362B, ARG57C, ASN322B, ASN58C, ASP132C, ASP309B, ASP320B, ASP338B, ASP340B, CYS352B, CYS90C, GLN305B, GLN59C, GLY131C, GLY192C, GLY324B, GLY331B, GLY355B, GLY357B, GLY92C, GLY95C, HIS354B, ILE130C, ILE335B, ILE342B, LEU129C, LEU194C, LEU198C, LEU311B, LEU327B, LEU337B, LEU66C, LYS61C, MET193C, MET332B, PRO196C, PRO334B, PRO339B, PRO93C, SER197C, SER310B, THR167C, THR336B, THR56C, THR91C, TRP323B, VAL312B, VAL326B, VAL330B, VAL356B, VAL60C
• B-D: ALA315B, ALA315D, ALA328B, ALA328D, ALA329B, ALA329D, ALA394B, ALA394D, ALA401B, ALA401D, ARG304B, ARG304D, ARG308B, ARG308D, ARG325B, ARG325D, ARG362B, ARG362D, ASN240B, ASN240D, ASN322B, ASN322D, ASN399B, ASN399D, ASP234B, ASP234D, ASP309B, ASP309D, ASP320B, ASP320D, ASP390B, ASP390D, CYS237B, CYS237D, GLN305B, GLN305D, GLU280B, GLU280D, GLU397B, GLU397D, GLU398B, GLU398D, GLY235B, GLY235D, GLY318B, GLY318D, GLY324B, GLY324D, GLY331B, GLY331D, HIS393B, HIS393D, ILE233B, ILE233D, LEU311B, LEU311D, LEU316B, LEU316D, LEU327B, LEU327D, LEU391B, LEU391D, LYS313B, LYS313D, MET332B, MET332D, PHE317B, PHE317D, PRO321B, PRO321D, PRO339D, SER236B, SER236D, SER238B, SER238D, SER310B, SER310D, SER319B, SER319D, SER392B, SER392D, SER400B, SER400D, SER403B, SER403D, SER404B, SER404D, THR200B, THR200D, THR239B, THR239D, THR314B, THR314D, TYR395B, TYR395D, TYR402B, TYR402D, VAL312B, VAL312D, VAL396B, VAL396D
• C-D: ALA123C, ALA13C, ALA160C, ALA161C, ALA175C, ALA188C, ALA18C, ALA191C, ALA195C, ALA199C, ALA209D, ALA20C, ALA210D, ALA211D, ALA214D, ALA215D, ALA219D, ALA223D, ALA224D, ALA225D, ALA24C, ALA250D, ALA256D, ALA258D, ALA263D, ALA273D, ALA277D, ALA279D, ALA40C, ALA50C, ALA51C, ALA52C, ALA62C, ALA63C, ALA79C, ALA87C, ALA89C, ARG12C, ARG218D, ARG221D, ARG222D, ARG230D, ARG23C, ARG266D, ARG304D, ARG308D, ARG387D, ARG57C, ARG76C, ARG78C, ARG9C, ASN169C, ASN181C, ASN240D, ASN399D, ASN44C, ASN58C, ASN83C, ASN88C, ASP132C, ASP168C, ASP180C, ASP208D, ASP229D, ASP232D, ASP234D, ASP241D, ASP259D, ASP261D, ASP269D, ASP270D, ASP278D, ASP48C, CYS125C, CYS203D, CYS237D, CYS268D, CYS272D, CYS90C, GLN14C, GLN173C, GLN257D, GLN274D, GLN276D, GLN59C, GLN69C, GLU121C, GLU212D, GLU217D, GLU252D, GLU262D, GLU280D, GLU398D, GLU45C, GLY128C, GLY131C, GLY157C, GLY15C, GLY185C, GLY186C, GLY190C, GLY192C, GLY21C, GLY235D, GLY249D, GLY281D, GLY46C, GLY53C, GLY75C, GLY86C, HIS177C, HIS178C, HIS179C, ILE130C, ILE164C, ILE233D, ILE253D, ILE386D, ILE81C, LEU10C, LEU11C, LEU129C, LEU176C, LEU194C, LEU198C, LEU202D, LEU205D, LEU216D, LEU220D, LEU231D, LEU244D, LEU245D, LEU246D, LEU260D, LEU265D, LEU271D, LEU275D, LEU41C, LEU66C, LEU72C, LEU77C, LEU82C, LYS172C, LYS189C, LYS61C, MET165C, MET187C, MET193C, MET201D, PHE228D, PHE22C, PHE43C, PHE55C, PRO171C, PRO196C, PRO19C, PRO213D, PRO254D, PRO255D, PRO47C, PRO64C, SER126C, SER197C, SER236D, SER238D, SER247D, SER248D, SER251D, SER403D, SER404D, SER84C, THR127C, THR166C, THR167C, THR17C, THR183C, THR200D, THR206D, THR207D, THR227D, THR239D, THR242D, THR388D, THR389D, THR56C, THR68C, THR74C, THR8C, TRP182C, TYR395D, TYR402D, TYR49C, VAL122C, VAL124C, VAL16C, VAL170C, VAL174C, VAL184C, VAL204D, VAL243D, VAL264D, VAL267D, VAL282D, VAL42C, VAL54C, VAL60C, VAL65C, VAL71C, VAL80C