3S9M

complex between transferrin receptor 1 and transferrin with iron in the n-lobe, cryocooled 1

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 143
  • Norm. En. per Res.: -2.9857
• 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	-20.6445	3.4525	-80.2217	-97.4137	59	4	0	3589	1	31	32
A-C	-72.9059	-102.2283	-251.814	-426.9482	143	17	6	10920	5	64	56
A-D	-2.1614	18.8041	-77.6389	-60.9962	67	3	3	3956	0	23	20
B-D	-38.1556	-67.0071	-235.267	-340.4297	130	11	7	10150	5	65	56

Interface residues

• A-B: ALA293A, ALA340A, ALA341A, ALA630B, ARG339A, ARG364A, ARG623B, ARG629B, ASN206A, ASN292A, ASN348A, ASN527B, ASN626B, ASP204A, ASP352A, ASP356B, ASP360A, ASP525B, ASP560B, ASP624B, GLN285A, GLN511B, GLN520B, GLN524B, GLN627B, GLU294A, GLU343A, GLU533B, GLY351A, ILE202A, ILE290A, LEU209A, LEU212A, LEU295A, LEU619B, LYS261B, LYS344A, LYS358B, LYS371A, LYS531B, LYS717B, LYS720B, PHE521B, PRO289A, SER355A, SER361A, SER368A, SER370A, SER526B, SER530B, THR362A, TRP528B, TYR211A, TYR523B, TYR565A, TYR628B, VAL210A, VAL213A, VAL291A
• A-C: 6108CB6.4538, ALA311C, ALA346C, ALA371C, ALA386C, ALA630A, ALA645A, ALA663A, ALA70C, ALA73C, ARG121A, ARG121A5, ARG143C, ARG324C, ARG327C, ARG352C, ARG50C, ARG623A, ARG629A, ARG646A, ARG651A, ARG655A, ARG668A, ASN361C, ASN383C, ASN527A, ASN615A, ASN618C, ASN626A, ASN662A, ASN758A, ASN75C, ASN76C, ASP125A, ASP126A, ASP163C, ASP166C, ASP310C, ASP356C, ASP614C, ASP624A, ASP648A, ASP659A, ASP667A, ASP69C, ASP757A, CYS345C, CYS355C, CYS368C, CYS615C, GLN627A, GLN640A, GLN743A, GLU141C, GLU147C, GLU328C, GLU338C, GLU351C, GLU357C, GLU367C, GLU372C, GLU385C, GLU606A, GLU612A, GLU625C, GLU664A, GLY364C, GLY384C, GLY617C, GLY647A, GLY661A, HIS349C, HIS603A, ILE366C, ILE49C, ILE756A, LEU122A, LEU347C, LEU353C, LEU46C, LEU607C, LEU618A, LEU619A, LEU625A, LEU639A, LEU642A, LEU674A, LEU72C, LYS128A, LYS144C, LYS148C, LYS312C, LYS340C, LYS343C, LYS354C, LYS365C, LYS380C, LYS633A, LYS665A, MET671A, PHE167C, PHE608C, PHE619C, PHE621A, PHE649A, PHE650A, PHE660A, PHE669A, PRO142C, PRO145C, PRO168C, PRO341C, PRO74C, SER348C, SER359C, SER362C, SER370C, SER526A, SER616A, SER616C, SER620A, SER638A, SER644A, SER654A, THR165C, THR657A, THR658A, THR666A, TRP124A, TRP344C, TRP358C, TRP641A, TYR123A, TYR643A, TYR68C, TYR71C, VAL320C, VAL342C, VAL360C, VAL363C, VAL369C, VAL622A, VAL670A
• A-D: ALA196A, ALA334D, ALA639D, ARG208A, ARG602D, ASN198A, ASN206A, ASN215A, ASN292A, ASN361D, ASN618D, ASP194A, ASP337D, ASP420D, ASP611D, ASP614D, GLN197A, GLN603D, GLN604D, GLN605D, GLU214A, GLU294A, GLU333D, GLU338D, GLU419D, GLY207A, GLY217A, GLY364D, GLY617D, HIS598D, HIS606D, HIS642D, ILE201A, ILE366D, ILE600D, LEU209A, LEU212A, LEU295A, LEU408D, LEU607D, LYS193A, LYS344A, LYS365D, LYS374A, LYS599D, LYS640D, MET570A, PHE608D, PHE619D, PRO216A, PRO335D, SER195A, SER199A, SER296A, SER362D, SER378A, THR336D, THR376A, THR569A, THR572A, TYR211A, VAL200A, VAL210A, VAL213A, VAL360D, VAL363D, VAL380A
• B-D: ALA311D, ALA346D, ALA371D, ALA386D, ALA630B, ALA645B, ALA663B, ALA70D, ALA73D, ARG121B, ARG143D, ARG324D, ARG327D, ARG352D, ARG50D, ARG623B, ARG629B, ARG646B, ARG651B, ARG655B, ARG668B, ASN361D, ASN383D, ASN615B, ASN618D, ASN626B, ASN662B, ASN758B, ASN75D, ASN76D, ASP125B, ASP126B, ASP163D, ASP166D, ASP356D, ASP624B, ASP648B, ASP659B, ASP667B, ASP69D, ASP757B, CYS345D, CYS355D, CYS368D, GLN640B, GLN743B, GLU141D, GLU147D, GLU328D, GLU351D, GLU357D, GLU367D, GLU372D, GLU385D, GLU612B, GLU625D, GLU664B, GLU759B, GLY364D, GLY384D, GLY617D, GLY647B, GLY661B, HIS349D, HIS350D, ILE366D, ILE49D, ILE756B, LEU122B, LEU353D, LEU46D, LEU618B, LEU619B, LEU625B, LEU639B, LEU642B, LEU674B, LEU72D, LYS128B, LYS144D, LYS148D, LYS312D, LYS343D, LYS354D, LYS365D, LYS633B, LYS665B, MET671B, PHE167D, PHE619D, PHE621B, PHE649B, PHE650B, PHE660B, PHE669B, PRO142D, PRO145D, PRO168D, PRO341D, PRO74D, SER348D, SER359D, SER362D, SER370D, SER616B, SER616D, SER620B, SER638B, SER644B, SER654B, THR165D, THR653B, THR657B, THR658B, THR666B, TRP124B, TRP344D, TRP358D, TRP641B, TYR123B, TYR643B, TYR68D, TYR71D, VAL320D, VAL342D, VAL360D, VAL363D, VAL369D, VAL622B, VAL670B