1UMR

crystal structure of the platelet activator convulxin, a disulfide linked a4b4 cyclic tetramer from the venom of crotalus durissus terrificus

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 7
  • Norm. En. per Res.: -4.3422
• 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	-21.9131	-17.0673	8.5851	-30.3953	7	7	0	184	2	6	2
A-C	-126.8055	-55.9128	-178.511	-361.2293	143	43	5	22847	4	39	38
A-D	-18.3239	2.2791	-29.7256	-45.7703	34	6	0	2084	3	15	17
B-D	-121.169	-54.1668	83.4117	-91.9241	142	53	5	22851	4	36	41
C-D	0.0	-16.8547	-34.2091	-51.0638	32	5	0	1464	0	16	6

Interface residues

• A-B: GLU110B, GLU62A, GLU63A, HIS67B, LYS108B, PHE117B, THR111B
• A-C: ALA119A, ALA226C, ALA270C, ALA311C, ALA39A, ALA47A, ALA50A, ALA54A, ARG114A, ARG213C, ARG302C, ARG73A, ASN271C, ASN272C, ASN275C, ASN278C, ASN306C, ASN76A, ASN95A, ASP251C, ASP283C, ASP305C, ASP51A, ASP87A, ASP94A, ASP98A, CYS104A, CYS121A, CYS232C, CYS277C, CYS298C, CYS32A, CYS81A, GLN280C, GLN307C, GLN75A, GLN80A, GLU229C, GLU248C, GLU249C, GLU26A, GLU288C, GLU291C, GLU294C, GLU295C, GLU297C, GLU29A, GLU324C, GLU49A, GLU78A, GLY238C, GLY269C, GLY284C, GLY38A, GLY71A, GLY88A, HIS14A, HIS240C, HIS245C, HIS293C, HIS40A, ILE101A, ILE268C, ILE273C, ILE300C, ILE44A, ILE70A, LEU106A, LEU107A, LEU241C, LEU299C, LEU309C, LEU41A, LEU72A, LEU96A, LEU97A, LEU99A, LYS103A, LYS108A, LYS115A, LYS130A, LYS276C, LYS286C, LYS290C, LYS322C, LYS45A, LYS48A, LYS77A, LYS79A, LYS84A, PHE113A, PHE117A, PHE131A, PHE244C, PHE265C, PHE304C, PHE323C, PRO132A, PRO287C, PRO312C, SER105A, SER239C, SER243C, SER246C, SER282C, SER301C, SER310C, SER43A, SER46A, SER69A, SER82A, SER86A, SER89A, SER90A, SER92A, THR102A, THR111A, THR233C, THR247C, THR285C, THR33A, THR83A, TRP116A, TRP225C, TRP25A, TRP267C, TRP274C, TRP279C, TRP281C, TRP292C, TRP308C, TRP85A, TYR100A, TYR214C, TYR289C, TYR93A, VAL118A, VAL242C, VAL250C, VAL254C, VAL42A, VAL74A, VAL91A
• A-D: ALA311D, ASP315D, GLU110A, GLU222D, GLU295D, GLU297D, GLU63A, GLY112A, HIS293D, HIS67A, ILE300D, LEU106A, LYS108A, LYS109A, LYS115A, LYS220D, LYS262D, MET223D, PHE117A, PHE265D, PHE65A, PRO312D, SER263D, SER314D, SER318D, SER64A, SER66A, THR111A, THR224D, THR264D, THR316D, TRP116A, TRP267D, TYR317D
• B-D: ALA119B, ALA226D, ALA270D, ALA311D, ALA39B, ALA47B, ALA50B, ALA54B, ARG114B, ARG302D, ARG73B, ASN271D, ASN272D, ASN275D, ASN278D, ASN306D, ASN76B, ASN95B, ASP251D, ASP283D, ASP305D, ASP51B, ASP87B, ASP94B, ASP98B, CYS104B, CYS121B, CYS232D, CYS277D, CYS298D, CYS32B, CYS81B, GLN280D, GLN307D, GLN75B, GLN80B, GLU229D, GLU248D, GLU249D, GLU26B, GLU288D, GLU291D, GLU294D, GLU295D, GLU297D, GLU29B, GLU324D, GLU49B, GLU78B, GLY238D, GLY269D, GLY284D, GLY38B, GLY71B, GLY88B, HIS14B, HIS240D, HIS245D, HIS293D, HIS40B, ILE101B, ILE268D, ILE273D, ILE300D, ILE44B, ILE70B, LEU106B, LEU107B, LEU241D, LEU299D, LEU309D, LEU41B, LEU72B, LEU96B, LEU97B, LEU99B, LYS103B, LYS108B, LYS115B, LYS130B, LYS276D, LYS286D, LYS290D, LYS322D, LYS45B, LYS48B, LYS77B, LYS79B, LYS84B, PHE113B, PHE117B, PHE131B, PHE244D, PHE265D, PHE304D, PHE323D, PRO132B, PRO287D, PRO312D, SER105B, SER120B, SER239D, SER243D, SER246D, SER282D, SER301D, SER310D, SER43B, SER46B, SER69B, SER82B, SER86B, SER89B, SER90B, SER92B, THR102B, THR111B, THR233D, THR247D, THR285D, THR33B, THR83B, TRP116B, TRP225D, TRP25B, TRP267D, TRP274D, TRP279D, TRP281D, TRP292D, TRP308D, TRP85B, TYR100B, TYR214D, TYR289D, TYR93B, VAL118B, VAL242D, VAL250D, VAL42B, VAL74B, VAL91B
• C-D: ALA311C, ASP227C, ASP315C, CYS313C, GLN221D, GLN235D, GLU222C, GLU222D, GLU291C, GLU294C, GLU295C, GLU297C, HIS207D, HIS293C, LEU261D, LYS217D, LYS220D, LYS262D, LYS290C, MET223C, PHE219D, PHE231D, PHE296C, PRO312C, SER260D, SER263D, SER314C, SER318D, THR224C, THR316C, TRP292C, TYR317C