3M91

crystal structure of the prokaryotic ubiquitin-like protein (pup) complexed with the amino terminal coiled coil of the mycobacterium tuberculosis proteasomal atpase mpa

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 51
  • Norm. En. per Res.: -3.7344
• 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	-6.3177	6.9519	-120.766	-120.1319	55	13	5	5527	1	25	23
A-C	0.0	0.0	-247.765	-247.765	90	6	28	11742	0	34	34
A-D	-9.6354	-59.2652	-117.962	-186.8626	52	1	6	5439	3	30	14
B-C	-14.869	-61.4951	-114.092	-190.456	51	2	6	5414	3	29	14
C-D	-33.4752	7.3839	-113.2	-139.2913	54	9	5	5298	1	25	23

Interface residues

• A-B: ALA51B, ALA68A, ALA80A, ALA86A, ARG28B, ARG29B, ARG69A, ARG81A, ARG88A, ARG93A, ASN50B, ASN70A, ASP37B, ASP38B, ASP44B, ASP45B, GLN26B, GLN82A, GLN83A, GLU30B, GLU34B, GLU35B, GLU42B, GLU48B, GLU49B, GLU75A, GLU79A, GLU89A, GLU90A, GLY25B, ILE43B, LEU32B, LEU39B, LEU40B, LEU47B, LEU66A, LEU73A, LEU77A, LEU84A, LEU85A, LEU87A, LEU94A, LYS31B, LYS72A, LYS78A, MET74A, SER21B, SER65A, SER71A, THR22B, THR33B, THR36B, THR76A, VAL46B, VAL91A
• A-C: ALA53A, ALA53C, ALA61A, ALA61C, ALA67A, ALA67C, ALA68A, ALA68C, ALA80A, ALA80C, ALA86A, ALA86C, ARG54A, ARG54C, ARG62A, ARG62C, ARG69A, ARG69C, ARG81A, ARG81C, ARG88A, ARG88C, ARG93A, ARG93C, ASN70A, ASN70C, ASP55A, ASP55C, ASP64A, ASP64C, ASP92A, ASP92C, GLN58A, GLN58C, GLN82A, GLN82C, GLN83A, GLN83C, GLN96A, GLN96C, GLU60A, GLU60C, GLU75A, GLU75C, GLU79A, GLU79C, GLU89A, GLU89C, GLU90A, GLU90C, GLY95A, GLY95C, HIS57A, HIS57C, ILE56A, ILE56C, ILE63A, ILE63C, LEU59A, LEU59C, LEU66A, LEU66C, LEU73A, LEU73C, LEU77A, LEU77C, LEU84A, LEU84C, LEU85A, LEU85C, LEU87A, LEU87C, LEU94A, LEU94C, LYS72A, LYS72C, LYS78A, LYS78C, MET74A, MET74C, SER52A, SER52C, SER65A, SER65C, SER71A, SER71C, THR76A, THR76C, VAL91A, VAL91C
• A-D: ALA51D, ALA80A, ALA86A, ARG28D, ARG29D, ARG81A, ARG88A, ARG93A, ASN50D, ASN70A, ASP37D, ASP38D, ASP41D, ASP44D, ASP45D, ASP92A, GLN26D, GLN82A, GLN83A, GLN96A, GLU30D, GLU34D, GLU35D, GLU42D, GLU48D, GLU49D, GLU75A, GLU79A, GLU89A, GLU90A, GLY25D, GLY95A, ILE43D, LEU32D, LEU39D, LEU40D, LEU47D, LEU73A, LEU77A, LEU84A, LEU85A, LEU87A, LEU94A, LYS78A, MET74A, SER21D, SER71A, THR33D, THR36D, THR76A, VAL46D, VAL91A
• B-C: ALA51B, ALA80C, ALA86C, ARG28B, ARG29B, ARG81C, ARG88C, ARG93C, ASN50B, ASN70C, ASP37B, ASP38B, ASP41B, ASP44B, ASP45B, ASP92C, GLN26B, GLN82C, GLN83C, GLN96C, GLU30B, GLU34B, GLU35B, GLU42B, GLU48B, GLU49B, GLU75C, GLU79C, GLU89C, GLU90C, GLY25B, GLY95C, ILE43B, LEU32B, LEU39B, LEU40B, LEU47B, LEU73C, LEU77C, LEU84C, LEU85C, LEU87C, LEU94C, LYS78C, MET74C, SER21B, THR33B, THR36B, THR76C, VAL46B, VAL91C
• C-D: ALA51D, ALA68C, ALA80C, ALA86C, ARG28D, ARG29D, ARG69C, ARG81C, ARG88C, ARG93C, ASN50D, ASN70C, ASP37D, ASP38D, ASP44D, ASP45D, GLN26D, GLN82C, GLN83C, GLN96C, GLU30D, GLU34D, GLU35D, GLU42D, GLU48D, GLU49D, GLU75C, GLU79C, GLU89C, GLU90C, GLY25D, ILE43D, LEU32D, LEU39D, LEU40D, LEU47D, LEU66C, LEU73C, LEU77C, LEU84C, LEU85C, LEU87C, LEU94C, LYS31D, LYS72C, LYS78C, MET74C, SER21D, SER65C, THR33D, THR36D, THR76C, VAL46D, VAL91C