3PKJ

human sirt6 crystal structure in complex with 2'-n-acetyl adp ribose

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 44
  • Norm. En. per Res.: -3.8026
• 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	-13.9448	-88.754	-64.6172	-167.316	44	1	0	2607	4	35	35
A-C	0.0	0.0	-0.69	-0.69	3	0	0	79	0	0	3
A-D	0.0	0.0	-0.0077	-0.0077	2	0	0	9	0	4	0
A-F	-40.4079	-1.0568	-148.289	-189.7537	61	5	0	5871	0	15	14
B-C	0.0	17.1691	-13.377	3.7921	27	0	0	1126	0	19	23
B-D	-6.4115	0.6139	-53.7014	-59.499	35	3	0	2161	0	33	30
B-E	-19.1469	47.7867	-221.375	-192.7352	115	7	1	9254	2	43	49
C-D	-8.3175	9.401	-51.4602	-50.3767	33	4	0	2247	0	27	23
C-E	0.0	0.0	-0.0148	-0.0148	3	0	0	5	0	0	0
C-F	0.0	-3.3131	-61.3308	-64.6439	57	2	1	2545	0	37	40
D-E	-7.1106	-6.7367	-32.1524	-45.9997	24	0	1	1691	0	15	13

Interface residues

• A-B: ALA196A, ALA196B, ALA198B, ALA201A, ALA201B, ALA226A, ALA226B, ARG106A, ARG193A, ARG193B, ARG203A, ARG203B, ARG218B, ARG229A, ARG229B, ARG230A, ARG230B, ASN204A, ASN222B, ASP125A, ASP192A, ASP192B, ASP194B, ASP199A, ASP199B, GLU200A, GLU200B, LEU130B, LEU190B, LEU195A, LEU195B, LEU197A, LEU197B, LEU223B, LEU225B, LYS243B, PHE107A, PRO191B, PRO219B, SER189B, SER202B, SER220B, SER43A, SER44A
• A-C: ALA174A, ARG229C, ARG230C
• A-D: ARG180A, ARG218D
• A-F: ALA283A, ARG101A, ARG119A, ARG148A, ARG162A, ARG278A, ARG282A, ARG289F, ARG37F, ASP149A, ASP206F, ASP275A, CYS164A, GLN41F, GLU137A, GLU270F, GLU281A, GLY121A, GLY153A, GLY268F, GLY276A, LEU163A, LEU179A, LEU280A, LEU284A, LEU284F, LEU287F, LYS294F, MET134A, PHE122A, PHE135A, PRO123A, PRO277A, PRO285A, PRO285F, PRO286F, PRO288F, PRO290F, PRO291F, PRO293F, SER120A, SER42F, SER43F, THR144A, THR150A, THR154A, THR160A, THR165A, THR292F, TRP274A, TRP40F, TYR146A, VAL102F, VAL118A, VAL136A, VAL147A, VAL151A, VAL152A, VAL166A, VAL279A, VAL97A
• B-C: ARG251B, ARG74C, ASP12C, ASP185C, ASP23B, ASP245B, GLU20B, GLU26B, GLU27B, GLU72C, GLU73C, GLY14C, GLY75C, HIS253B, ILE21B, LEU76C, LYS13C, LYS15C, LYS31B, PHE22B, PRO19B, PRO241B, PRO24B, PRO25B, TRP186C, TRP69C, VAL68C
• B-D: ALA11B, ALA248D, ALA77B, ARG246D, ARG251D, ARG74B, ASP12B, ASP23D, ASP245D, ASP249D, CYS16B, GLN240D, GLU27D, GLU72B, GLU73B, GLY14B, GLY75B, HIS244D, HIS247D, HIS253D, ILE21D, ILE236D, ILE252D, LEU250D, LEU76B, LYS13B, LYS243D, LYS31D, MET71B, PRO19D, PRO241D, PRO24D, THR242D, THR70B, TRP69B
• B-E: ALA273B, ALA273E, ALA56B, ALA56E, ALA77B, ALA77E, ALA87B, ALA87E, ARG119B, ARG278B, ARG74B, ARG74E, ARG88B, ARG88E, ASP257B, ASP257E, ASP275B, ASP275E, ASP61B, ASP61E, ASP81B, ASP81E, GLN240B, GLN240E, GLN91B, GLN91E, GLU20B, GLU20E, GLU258B, GLU258E, GLU270B, GLU270E, GLU85B, GLU85E, GLY254B, GLY254E, GLY276B, GLY276E, GLY52B, GLY52E, GLY58B, GLY58E, GLY64B, GLY64E, GLY67B, GLY67E, GLY75B, GLY75E, HIS66B, HIS66E, ILE271B, ILE271E, ILE59B, ILE59E, LEU239B, LEU239E, LEU28B, LEU28E, LEU76B, LEU76E, LYS79B, LYS79E, MET71B, MET71E, MET94B, MET94E, PHE22B, PHE22E, PHE80B, PHE80E, PHE84B, PHE84E, PRO25B, PRO25E, PRO272B, PRO272E, PRO277B, PRO277E, PRO60B, PRO60E, PRO65B, PRO65E, PRO78B, PRO78E, PRO89B, PRO89E, SER54B, SER54E, SER57B, SER57E, SER86B, SER86E, THR261B, THR261E, THR55B, THR55E, THR70B, THR82B, THR82E, THR83B, THR83E, THR90B, THR90E, THR92B, THR92E, TRP274B, TRP274E, TYR255B, TYR255E, VAL256B, VAL256E, VAL259B, VAL259E, VAL68B, VAL68E
• C-D: ALA248C, ALA77D, ARG246C, ARG251C, ARG30C, ARG74D, ASP23C, ASP245C, ASP249C, CYS16D, GLU27C, GLU72D, GLU73D, GLY14D, GLY75D, HIS244C, HIS247C, HIS253C, ILE21C, ILE236C, ILE252C, LEU250C, LEU76D, LYS15D, LYS243C, LYS31C, MET71D, PHE22C, PRO241C, PRO24C, THR242C, THR70D, TRP69D
• C-E: ARG74C, GLY153E, GLY75C
• C-F: ALA140C, ALA167C, ALA196C, ALA196F, ALA198C, ALA201C, ALA201F, ALA226F, ARG193C, ARG193F, ARG203C, ARG203F, ARG229C, ARG229F, ARG230C, ARG230F, ASN204C, ASN204F, ASN222F, ASP188F, ASP192C, ASP192F, ASP194C, ASP199C, ASP199F, CYS139C, CYS142C, CYS175C, GLU178C, GLU187F, GLU200C, GLU200F, GLY177C, GLY231F, GLY232F, LEU130C, LEU190C, LEU190F, LEU195C, LEU195F, LEU197C, LEU197F, LEU223C, LEU225F, LYS141C, LYS143C, LYS143F, LYS228F, PRO191C, PRO191F, PRO219C, PRO219F, SER189C, SER189F, SER202F, THR227F, VAL166C
• D-E: ARG74E, ASP23D, CYS16E, GLU20D, GLU26D, GLU27D, GLU72E, GLU73E, GLY17E, GLY75E, HIS253D, ILE21D, LEU18E, LEU76E, LYS31D, MET71E, PHE22D, PRO19D, PRO19E, PRO241D, PRO24D, PRO25D, PRO65E, THR70E