1OS7

crystal structure of taud with iron, alpha-ketoglutarate and taurine bound at ph 7.5

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 68
  • Norm. En. per Res.: -2.6177
• 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	-38.9843	42.4206	-230.382	-226.9457	91	26	1	9381	0	27	25
A-C	0.0	0.0	-5.8424	-5.8424	40	0	0	536	2	16	21
A-D	-17.781	-5.5214	-152.747	-176.0494	68	4	6	6653	0	19	12
B-C	-19.2085	-5.6021	-153.19	-178.0006	68	7	6	6617	0	20	10
B-D	-4.8065	-32.8676	-21.4186	-59.0927	50	8	0	1448	3	24	27
C-D	-28.7659	41.8333	-239.289	-226.2217	94	7	1	8844	0	28	25

Interface residues

• A-B: ALA16A, ALA16B, ALA227A, ALA227B, ALA257A, ALA257B, ALA259A, ALA259B, ARG237A, ARG237B, ARG239A, ARG239B, ARG48B, ASN258A, ASN258B, ASN97A, ASN97B, ASP125A, ASP125B, ASP260A, ASP260B, ASP96A, ASP96B, GLN17A, GLN17B, GLN235A, GLN235B, GLN241A, GLN264A, GLN264B, GLU233A, GLU233B, GLY11A, GLY11B, GLY123A, GLY123B, GLY124A, GLY124B, GLY15A, GLY15B, HIS255B, HIS42A, HIS42B, ILE14A, ILE14B, LEU10A, LEU10B, LEU127A, LEU127B, LEU262A, LEU262B, LYS231A, LYS231B, PHE234A, PHE234B, PHE46A, PHE46B, PRO120A, PRO120B, PRO12A, PRO12B, PRO232A, PRO232B, PRO9A, PRO9B, SER121A, SER121B, THR122A, THR122B, THR126A, THR126B, THR129A, THR129B, THR230A, THR230B, THR8A, THR8B, TRP128A, TRP128B, TRP238A, TRP238B, TRP98A, TRP98B, TYR13A, TYR13B, TYR256A, TYR256B, TYR261A, TYR261B, VAL236A, VAL236B
• A-C: ARG156A, ARG156C, ARG165A, ARG165C, ARG209A, ARG209C, ASN97A, ASN97C, ASP96A, ASP96C, GLU152C, GLU161A, GLU161C, GLU204A, GLU204C, GLU215A, GLU215C, GLU219A, GLU219C, HIS171C, LYS216A, LYS216C, PHE226A, PHE226C, PRO160A, PRO182A, PRO183A, PRO183C, THR230A, THR230C, TRP174A, TRP174C, TRP98A, TRP98C, TYR162A, TYR162C, TYR256A, TYR256C, VAL178A, VAL178C
• A-D: ALA134A, ALA137A, ALA137D, ALA220A, ALA220D, ALA227A, ALA227D, ARG143A, ARG143D, ARG150A, ARG150D, ARG209D, ASP212A, ASP212D, GLN144A, GLN144D, GLU215A, GLU215D, GLU217A, GLU217D, GLU219A, GLU219D, HIS228A, HIS228D, ILE210A, ILE210D, LEU138A, LEU138D, LEU145A, LEU145D, LEU146A, LEU146D, LEU149A, LEU149D, LEU221A, LEU221D, LEU222A, LEU222D, LEU225A, LEU225D, LYS216A, LYS216D, LYS231A, LYS231D, PHE142A, PHE142D, PHE224A, PHE224D, PRO141A, PRO141D, PRO232A, SER139A, SER139D, SER147A, SER147D, SER214A, SER214D, SER218A, SER218D, SER223A, SER223D, THR230A, TYR135A, VAL140A, VAL140D, VAL211D, VAL213A, VAL213D
• B-C: ALA134B, ALA137B, ALA137C, ALA220B, ALA220C, ALA227B, ALA227C, ARG143B, ARG143C, ARG150B, ARG150C, ASP212B, ASP212C, GLN144B, GLN144C, GLU215B, GLU215C, GLU217B, GLU217C, GLU219B, GLU219C, GLY148B, HIS228B, HIS228C, ILE210B, ILE210C, LEU138B, LEU138C, LEU145B, LEU145C, LEU146B, LEU146C, LEU149B, LEU149C, LEU221B, LEU221C, LEU222B, LEU222C, LEU225B, LEU225C, LYS216B, LYS216C, LYS231B, LYS231C, PHE142B, PHE142C, PHE224B, PHE224C, PRO141B, PRO141C, SER139B, SER139C, SER147B, SER147C, SER214B, SER214C, SER218B, SER218C, SER223B, SER223C, THR230C, TYR135B, VAL140B, VAL140C, VAL211B, VAL211C, VAL213B, VAL213C
• B-D: ALA179B, ARG156B, ARG156D, ARG165D, ARG175D, ARG209B, ASN181B, ASN97B, ASN97D, ASP154B, ASP96B, GLU152B, GLU161B, GLU161D, GLU204B, GLU204D, GLU215B, GLU215D, GLU219B, GLU219D, HIS153B, HIS171D, ILE210B, LEU184B, LYS157D, LYS163D, LYS216B, LYS216D, PHE226B, PHE226D, PRO160D, PRO182B, PRO183B, SER158D, SER214B, SER218B, THR208B, THR230B, THR230D, TRP174B, TRP174D, TRP98B, TRP98D, TYR162B, TYR162D, TYR256B, TYR256D, VAL178B, VAL211B, VAL213B
• C-D: ALA133D, ALA16C, ALA16D, ALA227C, ALA227D, ALA257C, ALA257D, ALA259C, ALA259D, ARG237C, ARG237D, ARG239C, ARG239D, ARG48C, ARG48D, ASN258C, ASN258D, ASN95C, ASN97C, ASN97D, ASP125C, ASP125D, ASP260C, ASP260D, ASP96C, ASP96D, GLN17C, GLN17D, GLN235C, GLN235D, GLN264C, GLN264D, GLU233C, GLU233D, GLY11C, GLY11D, GLY123C, GLY123D, GLY124C, GLY124D, GLY15C, GLY15D, HIS255D, HIS42C, HIS42D, ILE14C, ILE14D, LEU10C, LEU10D, LEU127C, LEU127D, LEU262C, LEU262D, LYS231C, LYS231D, PHE234C, PHE234D, PHE46C, PHE46D, PRO120C, PRO120D, PRO12C, PRO12D, PRO232C, PRO232D, PRO93C, PRO9C, PRO9D, SER121C, SER121D, THR122C, THR122D, THR126C, THR126D, THR129C, THR129D, THR230C, THR230D, THR8C, THR8D, TRP128C, TRP128D, TRP238C, TRP238D, TRP98C, TRP98D, TYR13C, TYR13D, TYR256C, TYR256D, TYR261C, TYR261D, VAL236C, VAL236D