3PHD

crystal structure of human hdac6 in complex with ubiquitin

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: C-G
  • Int. Res.: 51
  • Norm. En. per Res.: -4.5048
• 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	0.0	0.0	-50.0368	-50.0368	26	0	0	1506	0	0	8
A-C	-19.4203	0.0	-111.645	-131.0653	54	3	1	4396	0	0	4
A-D	0.0	0.0	-108.194	-108.194	48	10	2	4649	0	0	4
A-E	-11.8791	-2.4265	-95.5918	-109.8974	38	5	0	2557	0	5	5
B-C	0.0	0.0	-90.1482	-90.1482	47	5	3	3908	0	0	4
B-D	-18.4824	0.0	-110.934	-129.4163	56	3	1	4423	0	0	4
B-F	-28.3999	14.8983	-119.563	-133.0646	35	8	0	3185	0	4	3
C-D	0.0	0.0	-30.4284	-30.4284	15	4	0	992	0	0	0
C-G	-40.1023	-27.5235	-162.118	-229.7438	51	9	2	4701	4	7	9
D-H	-29.6978	20.5785	-126.71	-135.8293	51	12	2	4056	0	10	7

Interface residues

• A-B: ASN59A, ASN59B, CYS78A, CYS78B, GLN79A, GLN79B, GLY58A, GLY58B, GLY61A, GLY61B, HIS56A, HIS56B, HIS57A, HIS57B, HIS62A, HIS62B, HIS7A, HIS7B, PRO63A, PRO63B, SER60A, SER60B, TYR76A, TYR76B, TYR77A, TYR77B
• A-C: ALA10A, ALA10C, ALA16A, ALA17A, ASN59A, ASN59C, CYS12A, CYS12C, CYS37A, CYS37C, CYS40A, CYS40C, GLN42A, GLN42C, GLN55C, GLY18A, GLY58A, GLY58C, GLY61A, GLY61C, HIS56A, HIS56C, HIS57C, HIS62A, HIS62C, HIS7A, HIS7C, ILE14A, LEU38A, LEU38C, LEU54C, LEU64A, LEU64C, LEU8A, LEU8C, PRO13A, PRO13C, PRO15A, PRO63A, PRO63C, PRO6C, SER39A, SER39C, SER60A, SER60C, TRP4C, TYR41A, TYR41C, TYR77C, VAL11A, VAL11C, VAL43A, VAL9A, VAL9C
• A-D: ALA10A, ALA10D, ALA16D, ALA73D, ALA80A, ALA86A, ALA86D, CYS12D, CYS5A, CYS5D, CYS75A, CYS78A, GLN79A, GLN85A, GLN85D, GLY18D, HIS7A, HIS7D, HIS83D, HIS84A, HIS84D, ILE14D, LEU19D, LEU2A, LEU38D, LEU64D, LEU66D, LEU87D, LEU8A, LEU8D, PRO13D, PRO15D, PRO1A, PRO3A, PRO63A, PRO6A, SER39D, TRP4A, TRP4D, TYR41D, TYR76A, TYR77A, VAL11D, VAL36D, VAL82A, VAL82D, VAL9A, VAL9D
• A-E: ALA73A, ALA80A, ARG47A, ARG72E, ARG74E, ASN34A, ASP70A, CYS45A, CYS75A, GLN55A, GLN79A, GLU33A, GLY46A, GLY51A, GLY75E, GLY76E, HIS52A, HIS57A, HIS68E, ILE49A, LEU54A, LEU66A, LEU67E, LEU69E, LEU71E, LEU73E, MET53A, PRO1A, SER67A, SER72A, TRP35A, TRP74A, TYR44A, TYR48A, TYR76A, TYR81A, VAL36A, VAL65A
• B-C: ALA10B, ALA10C, ALA16C, ALA73C, ALA80B, ALA86B, ALA86C, CYS12C, CYS5B, CYS5C, CYS75B, CYS78B, GLN79B, GLN85B, GLN85C, GLY18C, HIS7B, HIS83C, HIS84B, HIS84C, ILE14C, LEU19C, LEU2B, LEU38C, LEU64C, LEU66C, LEU87C, LEU8B, LEU8C, PRO13C, PRO15C, PRO3B, PRO3C, PRO63B, PRO6B, SER39C, TRP4B, TRP4C, TYR41C, TYR76B, TYR77B, VAL11C, VAL36C, VAL82B, VAL82C, VAL9B, VAL9C
• B-D: ALA10B, ALA10D, ALA16B, ALA17B, ASN59B, ASN59D, CYS12B, CYS12D, CYS37B, CYS37D, CYS40B, CYS40D, CYS75D, GLN42B, GLN42D, GLN55D, GLY18B, GLY58B, GLY58D, GLY61B, GLY61D, HIS56B, HIS56D, HIS57D, HIS62B, HIS62D, HIS7B, HIS7D, ILE14B, LEU19B, LEU38B, LEU38D, LEU54D, LEU64B, LEU64D, LEU8B, LEU8D, PRO13B, PRO13D, PRO15B, PRO63B, PRO63D, PRO6D, SER39B, SER39D, SER60B, SER60D, TYR41B, TYR41D, TYR44B, TYR77D, VAL11B, VAL11D, VAL43B, VAL9B, VAL9D
• B-F: ALA73B, ALA80B, ARG47B, ARG72F, ARG74F, ASP70B, CYS45B, CYS75B, CYS78B, GLN55B, GLN79B, GLU33B, GLY46B, GLY51B, GLY75F, GLY76F, HIS52B, HIS57B, ILE49B, ILE69B, LEU54B, LEU66B, LEU73F, MET53B, PRO63B, SER67B, SER72B, TRP35B, TRP74B, TYR44B, TYR48B, TYR76B, TYR77B, TYR81B, VAL65B
• C-D: CYS5C, CYS5D, CYS78D, HIS7C, HIS7D, LEU8C, LEU8D, PRO3C, PRO6C, PRO6D, TRP4C, TRP4D, VAL82D, VAL9C, VAL9D
• C-G: ALA73C, ALA80C, ALA86C, ARG47C, ARG72G, ARG74G, ASP70C, CYS45C, CYS75C, CYS78C, GLN32C, GLN55C, GLN79C, GLN85C, GLU33C, GLY10G, GLY46C, GLY51C, GLY75G, GLY76G, HIS52C, HIS57C, HIS68G, HIS83C, HIS84C, ILE44G, ILE49C, ILE69C, LEU54C, LEU66C, LEU67G, LEU69G, LEU71C, LEU71G, LEU73G, LEU8G, LYS6G, MET53C, PHE45G, SER67C, SER72C, THR7G, THR9G, TRP35C, TRP74C, TYR44C, TYR48C, TYR76C, TYR81C, VAL65C, VAL70G
• D-H: ALA46H, ALA73D, ALA80D, ALA86D, ARG47D, ARG72H, ARG74H, ASP70D, CYS45D, CYS75D, CYS78D, GLN55D, GLN79D, GLN85D, GLU33D, GLY10H, GLY46D, GLY47H, GLY51D, GLY75H, GLY76H, HIS52D, HIS57D, HIS83D, HIS84D, ILE44H, ILE49D, ILE69D, LEU54D, LEU66D, LEU69H, LEU71D, LEU71H, LEU73H, LEU8H, LYS6H, MET53D, PHE45H, SER67D, SER72D, THR7H, THR9H, TRP35D, TRP74D, TYR44D, TYR48D, TYR76D, TYR81D, VAL65D, VAL70H, VAL82D