3O37

crystal structure of trim24 phd-bromo complexed with h3(1-10)k4 peptide

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: C-G
  • Int. Res.: 45
  • Norm. En. per Res.: -7.1494
• Hub Node: A(4)

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	-36.6805	-12.1291	-167.939	-216.7486	69	12	3	7232	3	35	39
A-C	0.0	0.0	-0.0016	-0.0016	2	0	0	1	0	3	1
A-D	-21.528	22.0723	-60.7648	-60.2204	38	11	0	2333	0	12	12
A-E	-84.7319	-26.1148	-197.501	-308.3477	44	17	2	7042	1	18	10
B-C	-18.4389	22.11	-66.8271	-63.156	38	4	0	2392	0	12	14
B-F	-79.7976	-21.0583	-180.768	-281.624	43	15	2	6576	1	16	10
B-G	0.0	1.1854	-5.2618	-4.0764	14	0	0	307	0	1	2
C-D	-10.2766	3.6644	-75.9737	-82.5859	45	6	5	3472	0	7	12
C-G	-107.0104	-23.3437	-191.371	-321.7251	45	21	2	6952	0	16	9
C-H	-6.6448	-17.251	-16.6388	-40.5347	15	1	0	754	2	5	4
D-E	0.0	0.0	-3.9069	-3.9069	13	0	0	256	0	1	2
D-H	-70.4917	-27.0004	-179.599	-277.0911	43	22	2	6662	2	17	10

Interface residues

• A-B: ALA967B, ARG871B, ARG906A, ARG906B, ARG910B, ARG970B, ASN1003B, ASN995B, ASP872B, ASP904A, ASP904B, ASP964A, ASP964B, CYS870B, GLU877B, GLU890A, GLU895A, GLU963A, GLU963B, GLU998B, GLU999B, GLY896A, ILE903A, ILE903B, LEU1000B, LEU1001B, LEU1004B, LEU873A, LEU873B, LEU897A, LEU900A, LEU900B, LEU911B, LYS1002B, LYS875A, LYS875B, LYS891A, LYS892A, LYS893A, LYS899A, LYS899B, LYS905A, LYS905B, LYS907B, LYS961A, LYS961B, LYS992B, PHE914B, PHE965B, PHE997B, PRO1006B, PRO876A, PRO876B, PRO902A, PRO902B, PRO962A, PRO962B, SER874A, SER874B, SER960A, SER960B, THR894A, THR901A, THR901B, TYR1005B, TYR996B, VAL898A, VAL898B, VAL966B
• A-C: GLU890A, SER851C
• A-D: ALA967D, ALA977D, ARG970D, ASN859A, ASN941D, ASN975D, ASP881A, CYS882A, CYS976D, GLN974D, GLU837A, GLU842A, GLU864A, GLU879A, GLU963D, GLU978D, GLU994D, GLY863A, ILE938D, ILE939D, ILE972D, LEU850A, LEU857A, LEU971D, LYS937D, LYS940D, LYS961D, PHE860A, PHE973D, PHE979D, PRO861A, PRO942D, SER862A, THR858A, TRP865A, TYR880A, TYR935D, VAL878A
• A-E: ALA1E, ALA7E, ARG2E, ARG8E, ASN825A, ASN834A, ASN859A, ASP827A, CYS829A, CYS832A, CYS840A, CYS841A, CYS844A, CYS852A, GLN5E, GLN833A, GLU826A, GLU837A, GLU842A, GLU864A, GLY835A, GLY836A, GLY863A, HIS849A, ILE866A, LEU838A, LEU839A, LEU850A, LEU857A, LYS4E, LYS843A, LYS846A, LYS9E, PHE848A, PHE860A, PRO845A, PRO861A, SER10E, SER862A, THR3E, THR6E, TRP828A, TRP865A, VAL847A
• B-C: ALA967B, ALA977B, ARG970B, ASN859C, ASN941B, ASN975B, ASP881C, CYS976B, GLN974B, GLU837C, GLU842C, GLU864C, GLU879C, GLU890C, GLU963B, GLU978B, GLU981B, GLU994B, GLY863C, ILE938B, ILE939B, ILE972B, LEU971B, LYS937B, LYS940B, LYS961B, PHE860C, PHE973B, PHE979B, PRO861C, PRO942B, PRO982B, SER862C, THR858C, TRP865C, TYR880C, TYR935B, VAL878C
• B-F: ALA1F, ALA7F, ARG2F, ARG8F, ASN825B, ASN834B, ASN859B, ASP827B, CYS829B, CYS832B, CYS840B, CYS841B, CYS844B, CYS852B, GLN5F, GLN833B, GLU826B, GLU837B, GLU842B, GLU864B, GLY835B, GLY836B, GLY863B, HIS849B, LEU838B, LEU839B, LEU850B, LEU857B, LYS4F, LYS843B, LYS846B, LYS9F, PHE848B, PHE860B, PRO845B, PRO861B, SER10F, SER862B, THR3F, THR6F, TRP828B, TRP865B, VAL847B
• B-G: ALA1G, ARG2G, ASN941B, ASN975B, ASP964B, GLN5G, GLN974B, GLU978B, ILE938B, ILE939B, LEU971B, LYS940B, LYS961B, THR3G
• C-D: ALA923D, ALA987D, ALA989D, ARG951C, ASN834D, ASN941C, ASN980D, ASN988D, ASP926C, ASP926D, ASP934C, CYS829D, CYS832D, CYS852D, CYS917D, GLN833D, GLN925D, GLU919D, GLU985D, GLY835D, GLY990D, HIS849D, HIS918D, ILE938C, ILE939C, LEU922D, LEU930C, LYS937C, LYS940C, LYS992D, MET920D, PHE924D, PRO927C, PRO929C, PRO933C, SER921D, SER984D, THR931C, THR931D, TYR935C, TYR936C, VAL831D, VAL928C, VAL932C, VAL986D
• C-G: ALA1G, ALA7G, ARG2G, ARG8G, ASN825C, ASN834C, ASN859C, ASP827C, CYS829C, CYS832C, CYS840C, CYS841C, CYS844C, CYS852C, GLN5G, GLN833C, GLU826C, GLU837C, GLU842C, GLU864C, GLY835C, GLY836C, GLY863C, HIS849C, ILE866C, LEU838C, LEU839C, LEU850C, LEU857C, LYS4G, LYS843C, LYS846C, LYS9G, PHE848C, PHE860C, PRO824C, PRO845C, PRO861C, SER10G, SER862C, THR3G, THR6G, TRP828C, TRP865C, VAL847C
• C-H: ALA977C, ARG8H, ASN975C, ASN980C, ASP934C, GLU978C, GLU981C, ILE938C, ILE939C, LYS937C, LYS940C, LYS9H, PHE979C, SER10H, TYR935C
• D-E: ALA1E, ARG2E, ASN941D, ASN975D, GLN5E, GLN974D, GLU978D, ILE938D, ILE939D, LEU971D, LYS940D, LYS961D, THR3E
• D-H: ALA1H, ALA7H, ARG2H, ARG8H, ASN825D, ASN834D, ASN859D, ASP827D, CYS829D, CYS832D, CYS840D, CYS841D, CYS844D, CYS852D, GLN5H, GLN833D, GLU826D, GLU837D, GLU842D, GLU864D, GLY835D, GLY836D, GLY863D, HIS849D, LEU838D, LEU839D, LEU850D, LEU857D, LYS4H, LYS843D, LYS846D, LYS9H, PHE848D, PHE860D, PRO845D, PRO861D, SER10H, SER862D, THR3H, THR6H, TRP828D, TRP865D, VAL847D