3O33

crystal structure of trim24 phd-bromo in the free state

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 63
  • Norm. En. per Res.: -2.8815
• Hub Node: A(1)

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	-10.7546	2.6219	-36.554	-44.6867	30	1	2	1666	0	6	9
B-C	-30.1018	-7.8052	-143.629	-181.5359	63	3	3	6358	2	34	37
C-D	-6.3023	-5.1515	-20.2101	-31.6639	22	4	0	942	0	3	4

Interface residues

• A-B: ALA923A, ALA989A, ASN834A, ASP926B, ASP934B, CYS832A, GLN833A, GLN925A, GLU919A, GLU954B, GLU981A, GLU985A, HIS918A, LEU922A, LEU930B, LYS937B, LYS950B, MET920A, PHE924A, PRO927B, PRO929B, PRO933A, PRO933B, SER921A, SER984A, THR931B, TYR936B, VAL928B, VAL932B, VAL986A
• B-C: ALA967C, ARG906B, ARG906C, ARG910C, ARG970C, ASN1003C, ASN995C, ASP872C, ASP904B, ASP904C, ASP964B, ASP964C, GLU877C, GLU890B, GLU895B, GLU963B, GLU963C, GLU998C, GLU999C, GLY896B, ILE903B, ILE903C, LEU1000C, LEU1001C, LEU1004C, LEU873C, LEU897B, LEU900B, LEU900C, LEU911C, LYS1002C, LYS843C, LYS875B, LYS875C, LYS891B, LYS892B, LYS893B, LYS899B, LYS899C, LYS905B, LYS905C, LYS907C, LYS961B, LYS961C, PHE965C, PHE997C, PRO1006C, PRO876C, PRO885B, PRO902B, PRO902C, PRO962C, SER874B, SER874C, SER960B, SER960C, THR894B, THR901B, THR901C, TYR1005C, VAL898B, VAL898C, VAL966C
• C-D: ASN834C, ASN834D, ASP827C, CYS829D, CYS832D, CYS852D, GLN833D, GLU837C, GLU837D, GLY835C, GLY835D, GLY836C, GLY836D, HIS849C, HIS849D, LEU838C, LEU838D, PHE860C, SER862C, THR931D, TRP828C, TRP828D