1QWJ

the crystal structure of murine cmp-5-n-acetylneuraminic acid synthetase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 201
  • Norm. En. per Res.: -5.0684
• 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	-153.3123	-288.6315	-576.81	-1018.7538	201	65	7	23747	26	100	76
A-C	0.0	7.6376	-72.5759	-64.9383	47	5	3	3589	0	12	12
A-D	0.0	0.0	-0.1341	-0.1341	4	0	0	36	0	0	2
B-C	0.0	0.0	-0.0763	-0.0763	4	0	0	14	0	0	3
B-D	-6.8645	-1.8389	-77.6592	-86.3626	52	4	4	3610	0	16	13
C-D	-69.8026	-243.1252	-458.472	-771.3998	193	28	5	19938	22	97	71

Interface residues

• A-B: ALA197A, ALA197B, ALA234A, ALA234B, ALA240A, ALA240B, ALA255A, ALA255B, ARG172A, ARG172B, ARG173A, ARG173B, ARG177A, ARG177B, ARG186A, ARG186B, ARG199A, ARG199B, ARG201A, ARG201B, ARG202A, ARG202B, ARG239A, ARG239B, ARG258A, ARG258B, ARG261A, ARG261B, ARG50A, ASN139A, ASN139B, ASN193A, ASN193B, ASN195A, ASN195B, ASN212A, ASN212B, ASP116A, ASP116B, ASP122A, ASP122B, ASP204A, ASP204B, ASP206A, ASP206B, ASP245A, ASP245B, ASP247A, ASP247B, ASP249A, ASP249B, ASP251A, ASP251B, GLN141A, GLN141B, GLN175A, GLN175B, GLN182A, GLN182B, GLN203A, GLN203B, GLN229A, GLN229B, GLN257A, GLN257B, GLU161B, GLU162A, GLU162B, GLU180A, GLU180B, GLU187A, GLU187B, GLU190A, GLU190B, GLU208A, GLU208B, GLU211A, GLU211B, GLU237A, GLU237B, GLU241A, GLU241B, GLU256A, GLU256B, GLY163B, GLY207A, GLY207B, GLY213A, GLY213B, GLY226A, GLY226B, GLY230A, GLY230B, GLY231A, GLY231B, HIS174A, HIS174B, HIS242A, HIS242B, ILE124A, ILE124B, ILE181A, ILE181B, ILE246A, ILE250A, ILE250B, ILE254A, ILE254B, LEU121A, LEU121B, LEU192A, LEU192B, LEU194A, LEU194B, LEU209A, LEU209B, LEU228A, LEU228B, LEU260A, LEU260B, LYS115A, LYS115B, LYS198A, LYS198B, LYS232A, LYS232B, LYS54A, LYS54B, LYS59A, MET158A, MET158B, MET225A, MET225B, MET233A, MET233B, PHE168A, PHE168B, PHE176A, PHE176B, PHE262A, PHE262B, PRO191A, PRO191B, PRO196A, PRO196B, PRO200A, PRO200B, PRO253A, PRO253B, SER117A, SER117B, SER118A, SER118B, SER120A, SER120B, SER144A, SER166A, SER166B, SER169A, SER169B, SER179A, SER179B, SER243A, SER243B, THR119A, THR119B, THR143A, THR189A, THR189B, TRP178A, TRP178B, TRP205A, TRP205B, TRP252A, TRP252B, TYR164A, TYR164B, TYR210A, TYR210B, TYR216A, TYR216B, TYR227A, TYR227B, TYR235A, TYR235B, TYR236A, TYR236B, VAL167A, VAL167B, VAL170A, VAL170B, VAL171A, VAL171B, VAL188A, VAL188B, VAL244A, VAL244B, VAL248A, VAL248B, VAL259A, VAL259B
• A-C: ALA65A, ALA65C, ARG261A, ARG63A, ARG63C, ARG75A, ARG75C, ASN97A, ASN97C, GLN101A, GLN101C, GLN257A, GLN257C, GLU256A, GLU256C, GLU94C, GLY103A, GLY266A, GLY266C, GLY66A, GLY66C, ILE61C, LEU260A, LEU260C, LEU64A, LEU64C, LYS100A, LYS267A, LYS267C, PHE102A, PHE102C, PHE265A, PHE265C, PRO253A, PRO253C, PRO68A, PRO68C, TRP72A, TRP72C, TYR264A, TYR264C, VAL259A, VAL259C, VAL67A, VAL67C, VAL98A, VAL98C
• A-D: ARG261A, ARG261D, GLN257A, GLN257D
• B-C: GLN257B, GLN257C, PRO253B, PRO253C
• B-D: ALA65B, ALA65D, ARG261B, ARG261D, ARG63B, ARG63D, ARG75B, ARG75D, ASN97B, ASN97D, GLN101B, GLN101D, GLN257B, GLN257D, GLU256B, GLU256D, GLU268B, GLU94B, GLU94D, GLY263B, GLY263D, GLY266B, GLY266D, GLY66B, GLY66D, ILE254B, ILE61B, ILE61D, LEU260B, LEU260D, LEU64B, LEU64D, LYS267B, LYS267D, PHE102B, PHE102D, PHE265B, PHE265D, PRO253B, PRO253D, PRO68B, PRO68D, TRP72B, TRP72D, TYR264B, TYR264D, VAL259B, VAL259D, VAL67B, VAL67D, VAL98B, VAL98D
• C-D: ALA123C, ALA197C, ALA197D, ALA234C, ALA234D, ALA240C, ALA240D, ALA255C, ALA255D, ARG109C, ARG172C, ARG172D, ARG173C, ARG173D, ARG177C, ARG177D, ARG199C, ARG199D, ARG201C, ARG201D, ARG202C, ARG202D, ARG239C, ARG239D, ARG258C, ARG258D, ARG261C, ARG261D, ARG50C, ASN193C, ASN193D, ASN195C, ASN195D, ASN212C, ASN212D, ASP116C, ASP116D, ASP122C, ASP122D, ASP204D, ASP206C, ASP206D, ASP245C, ASP245D, ASP247C, ASP247D, ASP249C, ASP249D, ASP251C, ASP251D, CYS146C, GLN141C, GLN141D, GLN175C, GLN175D, GLN182C, GLN182D, GLN203C, GLN203D, GLN229C, GLN229D, GLN257C, GLN257D, GLU162C, GLU180C, GLU180D, GLU187C, GLU187D, GLU190C, GLU190D, GLU208C, GLU208D, GLU211C, GLU211D, GLU237C, GLU237D, GLU241C, GLU241D, GLU256C, GLU256D, GLY207C, GLY207D, GLY213C, GLY213D, GLY226C, GLY226D, GLY230C, GLY230D, GLY231C, GLY231D, GLY55D, HIS174C, HIS174D, HIS242C, HIS242D, ILE124C, ILE181C, ILE181D, ILE246D, ILE250C, ILE250D, ILE254C, ILE254D, LEU121C, LEU121D, LEU192C, LEU192D, LEU194C, LEU194D, LEU209C, LEU209D, LEU228C, LEU228D, LEU260C, LEU260D, LEU48C, LYS115C, LYS183C, LYS198C, LYS198D, LYS232C, LYS232D, LYS54C, LYS54D, LYS59D, MET158D, MET225C, MET233C, MET233D, PHE168C, PHE168D, PHE176C, PHE176D, PHE215C, PHE262C, PHE262D, PRO191C, PRO191D, PRO196C, PRO196D, PRO200C, PRO200D, PRO253C, PRO253D, SER117C, SER117D, SER118C, SER118D, SER120C, SER120D, SER166C, SER166D, SER169C, SER169D, SER179C, SER179D, SER243C, SER243D, SER53C, THR113C, THR119C, THR119D, THR189C, THR189D, TRP178C, TRP178D, TRP205C, TRP205D, TRP252C, TRP252D, TYR164C, TYR164D, TYR210C, TYR210D, TYR216C, TYR216D, TYR227C, TYR227D, TYR235C, TYR235D, VAL167C, VAL170C, VAL170D, VAL171C, VAL171D, VAL188C, VAL188D, VAL244C, VAL244D, VAL248C, VAL248D, VAL259C, VAL259D