1R2B

crystal structure of the bcl6 btb domain complexed with a smrt co-repressor peptide

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 44
  • Norm. En. per Res.: -8.8609
• 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	-166.9894	-26.6702	-477.805	-671.4646	155	28	19	19577	1	30	37
A-C	-20.3995	-8.1529	-98.2319	-126.7843	50	6	2	3779	2	11	11
A-D	-126.1429	-11.3239	-252.412	-389.8787	44	35	3	9374	3	12	14
B-C	-81.368	1.5161	-245.88	-325.7319	43	15	3	8584	3	12	14
B-D	-9.9253	-6.4182	-98.6108	-114.9543	50	1	2	3813	2	10	11

Interface residues

• A-B: ALA15A, ALA15B, ALA45A, ALA45B, ALA52A, ALA52B, ALA5A, ARG122A, ARG122B, ARG13A, ARG13B, ARG24A, ARG24B, ARG28A, ARG28B, ARG44A, ARG44B, ARG67A, ARG67B, ARG94A, ARG94B, ARG98A, ARG98B, ASN101A, ASN101B, ASN21A, ASN21B, ASN23A, ASN23B, ASN68A, ASN68B, ASN96A, ASN96B, ASP119A, ASP119B, ASP17A, ASP17B, ASP29A, ASP29B, ASP33A, ASP33B, ASP63B, ASP6A, ASP6B, ASP88A, ASP88B, CYS121A, CYS121B, CYS53A, CYS53B, GLN10A, GLN10B, GLN8A, GLN8B, GLU99A, GLU99B, GLY100A, GLY100B, GLY55A, GLY55B, HIS116A, HIS116B, HIS14A, HIS14B, HIS46A, HIS46B, ILE102A, ILE102B, ILE125A, ILE125B, ILE30A, ILE30B, ILE60B, ILE85A, ILE85B, ILE9A, ILE9B, LEU19A, LEU19B, LEU20A, LEU20B, LEU22A, LEU22B, LEU25A, LEU25B, LEU31A, LEU31B, LEU50A, LEU50B, LEU86A, LEU86B, LEU87A, LEU87B, LEU95A, LEU95B, LEU97A, LEU97B, LYS123A, LYS123B, LYS47A, LYS47B, MET114A, MET114B, MET51A, MET51B, MET90A, MET90B, PHE11A, PHE11B, PHE124A, PHE124B, PHE57A, PHE57B, PHE61A, PHE61B, PHE89A, PHE89B, SER128A, SER128B, SER16A, SER16B, SER54A, SER54B, SER7A, SER7B, SER93A, SER93B, THR120A, THR120B, THR12A, THR12B, THR32A, THR32B, THR48A, THR48B, THR62A, THR62B, THR92A, THR92B, TYR58A, TYR58B, TYR91A, TYR91B, VAL105A, VAL105B, VAL117A, VAL117B, VAL118A, VAL118B, VAL18A, VAL18B, VAL34A, VAL34B, VAL49A, VAL49B
• A-C: ALA127A, ALA1416C, ALA1421C, ALA52A, ARG1423C, ARG94A, ARG98A, ASN96A, ASP119A, CYS121A, CYS53A, GLN113A, GLU115A, GLU1420C, GLU1427C, GLY1422C, GLY55A, HIS116A, HIS1426C, ILE1425C, ILE1428C, LEU19A, LEU50A, LEU56A, LEU86A, LEU95A, LEU97A, LYS123A, LYS1419C, MET114A, MET51A, MET90A, PHE124A, PHE57A, PHE89A, PRO1429C, SER0C, SER1424C, SER54A, SER59A, SER93A, THR120A, THR1417C, THR48A, TYR58A, VAL117A, VAL118A, VAL1415C, VAL1418C, VAL49A
• A-D: ALA1416D, ALA1421D, ALA15A, ALA5A, ARG13A, ARG1423D, ARG1430D, ARG24A, ARG26A, ARG28A, ASN21A, ASN23A, ASP17A, ASP6A, GLN10A, GLN8A, GLU1420D, GLU1427D, GLY1422D, HIS1426D, HIS14A, ILE1425D, ILE1428D, ILE30A, ILE9A, LEU1414D, LEU19A, LEU20A, LEU22A, LEU25A, LYS1419D, PHE11A, PRO1429D, SER1424D, SER16A, SER27A, SER7A, THR12A, THR1417D, THR92A, TYR91A, VAL1415D, VAL1418D, VAL18A
• B-C: ALA1416C, ALA1421C, ALA15B, ARG13B, ARG1423C, ARG1430C, ARG24B, ARG26B, ARG28B, ASN21B, ASN23B, ASP17B, ASP6B, GLN10B, GLN8B, GLU1420C, GLU1427C, GLY-1C, GLY1422C, HIS1426C, HIS14B, ILE1425C, ILE1428C, ILE30B, ILE9B, LEU1414C, LEU19B, LEU20B, LEU22B, LEU25B, LYS1419C, PHE11B, PRO1429C, SER0C, SER1424C, SER16B, SER27B, SER7B, THR12B, THR1417C, VAL1415C, VAL1418C, VAL18B
• B-D: ALA127B, ALA1416D, ALA1421D, ALA52B, ARG1423D, ARG94B, ARG98B, ASN96B, ASP119B, CYS121B, CYS53B, GLN113B, GLU115B, GLU1420D, GLU1427D, GLY1422D, GLY55B, HIS116B, HIS1426D, ILE1425D, ILE1428D, LEU19B, LEU50B, LEU56B, LEU86B, LEU95B, LEU97B, LYS123B, LYS1419D, MET114B, MET51B, MET90B, PHE124B, PHE57B, PHE89B, PRO1429D, SER128B, SER1424D, SER54B, SER59B, SER93B, THR120B, THR1417D, THR48B, TYR58B, VAL117B, VAL118B, VAL1415D, VAL1418D, VAL49B