3E4U

crystal structure of the wild-type human bcl6 btb/poz domain

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 133
  • Norm. En. per Res.: -3.8191
• Hub Node: A(5)

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	-50.8463	10.4945	-423.535	-463.8868	144	36	16	18207	0	24	29
A-C	0.0	0.0147	-29.4268	-29.4121	37	5	0	1853	0	12	6
A-D	-18.2102	0.0	-42.2761	-60.4863	28	10	2	2600	0	4	3
A-E	0.0	-2.8369	-25.1854	-28.0223	34	2	0	1681	0	11	5
A-F	-21.8396	0.0	-64.448	-86.2876	28	6	3	2778	0	4	3
B-C	-15.1357	0.0	-59.8865	-75.0222	28	5	3	2716	0	4	3
B-D	0.0	-9.7308	-36.8432	-46.574	38	1	0	1609	0	8	6
B-E	-13.6073	0.0	-61.031	-74.6383	30	8	4	2770	0	4	3
B-F	0.0	-4.3082	-34.768	-39.0762	38	2	0	1498	0	10	5
C-D	-55.4792	13.9358	-399.85	-441.3934	136	26	19	17749	0	26	30
E-F	-97.0722	4.2168	-415.083	-507.9384	133	29	17	17298	0	23	29

Interface residues

• A-B: ALA15A, ALA15B, ALA45A, ALA45B, ALA52A, ALA52B, ARG13A, ARG13B, ARG24A, ARG24B, ARG26A, ARG26B, ARG28A, ARG28B, ARG94A, ARG94B, ARG98A, ARG98B, ASN101A, ASN101B, ASN21A, ASN21B, ASN23A, ASN23B, ASN68A, ASN68B, ASN96A, ASN96B, ASP119A, ASP119B, ASP17A, ASP17B, ASP29B, ASP33A, ASP33B, ASP63B, ASP88A, ASP88B, CYS121A, CYS121B, CYS53A, CYS53B, CYS67B, CYS8A, CYS8B, GLN10A, GLN10B, GLN64A, GLN64B, GLU115A, GLU115B, GLU99A, GLY55A, HIS116A, HIS116B, HIS14A, HIS14B, HIS46A, HIS46B, ILE102A, ILE102B, ILE30A, ILE30B, ILE85A, ILE85B, ILE9A, ILE9B, LEU19A, LEU19B, LEU20A, LEU20B, LEU22A, LEU22B, LEU25A, LEU25B, LEU31A, LEU31B, LEU50A, LEU50B, LEU69A, 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, 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, ARG44C, ARG94A, ASN68C, ASN73C, ASP119A, ASP75C, CYS121A, CYS67C, GLN64C, GLU115A, GLU77C, HIS116A, ILE102A, ILE125A, ILE60C, ILE72C, ILE78C, LEU65C, LEU69C, LEU74C, LEU95A, LEU97A, LYS123A, LYS126A, LYS66C, PHE124A, PHE89A, SER128A, SER70C, SER93A, THR120A, VAL117A, VAL35C, VAL37C, VAL38C, VAL71C
• A-D: ARG13A, ARG44D, ASN68D, ASN73D, ASP17A, ASP33D, CYS67D, CYS8A, GLN10A, GLN42D, GLN64D, HIS14A, ILE72D, ILE9A, LEU65D, LEU69D, LYS47D, LYS66D, PHE11A, SER16A, SER70D, SER7A, THR12A, THR32D, VAL34D, VAL35D, VAL37D, VAL71D
• A-E: ALA127E, ARG122E, ARG94E, ASN68A, ASN73A, ASP119E, ASP75A, CYS121E, CYS67A, GLN64A, GLU115E, GLU77A, HIS116E, ILE102E, ILE125E, ILE60A, ILE72A, ILE78A, LEU65A, LEU69A, LEU74A, LEU95E, LEU97E, LYS123E, LYS126E, LYS66A, PHE124E, PHE89E, SER70A, SER93E, THR120E, VAL117E, VAL37A, VAL71A
• A-F: ARG13F, ASN68A, ASN73A, ASP17F, ASP33A, ASP63A, CYS67A, CYS8F, GLN10F, GLN42A, GLN64A, HIS14F, ILE72A, ILE9F, LEU65A, LEU69A, LYS47A, LYS66A, PHE11F, PHE61A, SER16F, SER70A, SER7F, THR12F, VAL34A, VAL35A, VAL37A, VAL71A
• B-C: ARG13B, ARG44C, ASN68C, ASN73C, ASP17B, ASP33C, ASP63C, CYS67C, CYS8B, GLN10B, GLN42C, GLN64C, HIS14B, ILE72C, ILE9B, LEU65C, LEU69C, LYS47C, LYS66C, PHE11B, SER70C, SER7B, THR12B, THR32C, VAL34C, VAL35C, VAL37C, VAL71C
• B-D: ALA127B, ARG122B, ARG44D, ARG94B, ASN73D, ASP119B, CYS121B, GLN42D, GLN64D, GLU129B, GLU41D, GLU77D, HIS116B, ILE125B, ILE72D, ILE78D, LEU31D, LEU65D, LEU69D, LEU74D, LEU95B, LEU97B, LYS123B, LYS126B, LYS66D, PHE124B, PHE89B, SER128B, SER39D, SER70D, SER93B, THR120B, THR12B, VAL117B, VAL118B, VAL37D, VAL38D, VAL71D
• B-E: ALA15E, ARG13E, ARG44B, ASN68B, ASN73B, ASP17E, ASP33B, CYS67B, CYS8E, GLN10E, GLN42B, GLU41B, HIS14E, ILE36B, ILE72B, ILE9E, LEU69B, LYS47B, PHE11E, PHE43B, SER16E, SER39B, SER70B, SER7E, THR12E, THR32B, VAL34B, VAL35B, VAL37B, VAL71B
• B-F: ALA127F, ARG122F, ARG44B, ARG94F, ASN73B, ASP119F, CYS121F, GLN42B, GLU41B, GLU77B, HIS116F, ILE125F, ILE72B, ILE78B, LEU31B, LEU65B, LEU69B, LEU74B, LEU95F, LEU97F, LYS123F, LYS126F, LYS66B, PHE124F, PHE89F, PRO80B, SER39B, SER70B, SER93F, THR120F, THR12F, TYR111B, VAL117F, VAL118F, VAL35B, VAL37B, VAL38B, VAL71B
• C-D: ALA15C, ALA15D, ALA45C, ALA45D, ALA52C, ALA52D, ARG13C, ARG13D, ARG24C, ARG24D, ARG26C, ARG26D, ARG28C, ARG28D, ARG94C, ARG94D, ARG98C, ARG98D, ASN101D, ASN21C, ASN21D, ASN23C, ASN23D, ASN68C, ASN68D, ASN96C, ASN96D, ASP119C, ASP119D, ASP17C, ASP17D, ASP33C, ASP33D, ASP63C, ASP88C, ASP88D, CYS121C, CYS121D, CYS53C, CYS53D, CYS67D, CYS8C, CYS8D, GLN10C, GLN10D, GLN64D, GLU115D, GLU99D, GLY55C, GLY55D, HIS116C, HIS116D, HIS14C, HIS14D, HIS46C, HIS46D, ILE102D, ILE30C, ILE30D, ILE85D, ILE9C, ILE9D, LEU19C, LEU19D, LEU20C, LEU20D, LEU22C, LEU22D, LEU25C, LEU25D, LEU31C, LEU31D, LEU50C, LEU50D, LEU69C, LEU69D, LEU86C, LEU86D, LEU87C, LEU87D, LEU95C, LEU95D, LEU97C, LEU97D, LYS123D, LYS47C, LYS47D, MET114C, MET114D, MET51C, MET51D, MET90C, MET90D, PHE11C, PHE11D, PHE124C, PHE124D, PHE57C, PHE61C, PHE61D, PHE89C, PHE89D, SER16C, SER16D, SER54C, SER54D, SER7C, SER7D, SER93C, SER93D, THR120C, THR120D, THR12C, THR12D, THR32C, THR32D, THR48C, THR48D, THR62C, THR62D, THR92C, THR92D, TYR58C, TYR58D, TYR91C, TYR91D, VAL117C, VAL117D, VAL118C, VAL118D, VAL18C, VAL18D, VAL34C, VAL34D, VAL49C, VAL49D
• E-F: ALA15E, ALA15F, ALA45E, ALA52E, ALA52F, ARG13E, ARG13F, ARG24E, ARG24F, ARG26F, ARG28E, ARG28F, ARG94E, ARG94F, ARG98E, ARG98F, ASN101F, ASN21E, ASN21F, ASN23E, ASN23F, ASN68E, ASN68F, ASN96E, ASN96F, ASP119E, ASP119F, ASP17E, ASP17F, ASP29E, ASP33E, ASP33F, ASP88E, ASP88F, CYS121E, CYS121F, CYS53E, CYS53F, CYS8E, CYS8F, GLN10E, GLN10F, GLU115E, GLU99E, GLY55E, GLY55F, HIS116E, HIS116F, HIS14E, HIS14F, HIS46E, HIS46F, ILE102E, ILE102F, ILE30E, ILE30F, ILE85E, ILE9E, ILE9F, LEU19E, LEU19F, LEU20E, LEU20F, LEU22E, LEU22F, LEU25E, LEU25F, LEU31E, LEU31F, LEU50E, LEU50F, LEU86E, LEU86F, LEU87E, LEU87F, LEU95E, LEU95F, LEU97E, LEU97F, LYS123E, LYS47E, LYS47F, MET114E, MET114F, MET51E, MET51F, MET90E, MET90F, PHE11E, PHE11F, PHE124E, PHE124F, PHE57E, PHE57F, PHE61E, PHE61F, PHE89E, PHE89F, SER16E, SER16F, SER54E, SER54F, SER7E, SER7F, SER93E, SER93F, THR120E, THR120F, THR12E, THR12F, THR32E, THR32F, THR48E, THR48F, THR62E, THR62F, THR92E, THR92F, TYR58E, TYR58F, TYR91E, TYR91F, VAL105E, VAL117E, VAL117F, VAL118E, VAL118F, VAL18E, VAL18F, VAL34E, VAL34F, VAL49E, VAL49F