3HK4

crystal structure of a putative snoal-like polyketide cyclase [carbohydrate phosphatase] (mlr7391) from mesorhizobium loti at 1.96 a resolution

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 28
  • Norm. En. per Res.: -3.1694
• 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	-21.7354	2.1728	-185.012	-204.5747	72	8	2	7382	0	30	24
A-C	0.0	-12.9714	-25.6701	-38.6415	25	0	0	1262	0	17	16
A-D	-6.9837	2.2683	-26.9199	-31.6352	28	3	0	1305	4	22	23
B-C	-17.0448	-35.7159	-35.9812	-88.7419	28	3	0	1411	7	22	23
C-D	-22.5207	18.4718	-190.961	-195.0099	67	5	2	7284	0	30	22

Interface residues

• A-B: ALA32A, ALA32B, ALA36A, ALA36B, ALA42A, ALA42B, ALA49A, ALA49B, ALA90A, ALA90B, ARG51A, ARG51B, ASN60A, ASN60B, ASP29A, ASP29B, ASP30A, ASP30B, GLN52A, GLN52B, GLN55A, GLN55B, GLN58A, GLN58B, GLU35A, GLU35B, GLU38A, GLU38B, GLU48A, GLU48B, GLU59A, GLU59B, GLY39A, GLY39B, GLY46A, GLY46B, GLY92A, GLY92B, HIS45A, HIS45B, HIS61A, HIS61B, ILE31B, LEU50A, LEU50B, LYS47A, LYS47B, LYS53A, LYS53B, LYS89A, LYS89B, PRO40A, PRO40B, PRO88A, PRO88B, SER33A, SER33B, SER44A, SER44B, SER54A, SER54B, THR91A, THR91B, TRP56A, TRP56B, TRP57A, TRP57B, TYR117A, TYR34A, TYR34B, VAL43A, VAL43B
• A-C: ALA20A, ALA20C, ALA23A, ALA23C, ARG51A, ARG51C, ASN19A, ASP18A, ASP18C, GLN52A, GLN52C, GLN55A, GLN55C, GLU24A, GLU24C, GLU48A, GLU48C, GLU59A, GLU59C, GLY21A, GLY21C, LYS25A, LYS25C, LYS47A, LYS47C
• A-D: ALA20A, ALA20D, ALA22A, ALA22D, ARG51D, ASP18A, ASP18D, ASP9A, GLN52D, GLN55D, GLU24A, GLU24D, GLU48D, GLU5A, GLY0A, GLY21A, GLY21D, ILE6A, LEU13A, LEU13D, LYS109A, LYS109D, LYS25A, LYS25D, LYS47A, LYS47D, THR2A, TYR26A
• B-C: ALA20B, ALA20C, ALA22C, ALA23C, ARG51B, ASN27C, ASP18C, ASP29C, ASP9C, GLN52B, GLN55B, GLU24B, GLU24C, GLU48B, GLU5C, GLY108C, GLY21B, GLY21C, ILE6C, LEU13C, LYS109B, LYS109C, LYS25B, LYS25C, LYS47B, LYS47C, THR2C, TYR26C
• C-D: ALA32C, ALA32D, ALA36C, ALA36D, ALA42C, ALA42D, ALA49C, ALA49D, ALA90C, ALA90D, ARG51C, ARG51D, ASN60C, ASN60D, ASP30C, GLN52C, GLN52D, GLN55C, GLN55D, GLN58C, GLN58D, GLU35C, GLU35D, GLU38C, GLU38D, GLU48C, GLU48D, GLU59C, GLU59D, GLY39C, GLY39D, GLY46C, GLY46D, GLY92D, HIS45C, HIS45D, HIS61C, HIS61D, LEU50C, LEU50D, LYS47C, LYS47D, LYS53C, LYS53D, LYS89C, LYS89D, PRO40C, PRO40D, PRO88C, PRO88D, SER33C, SER33D, SER44C, SER44D, SER54C, SER54D, THR91C, THR91D, TRP56C, TRP56D, TRP57C, TRP57D, TYR117C, TYR34C, TYR34D, VAL43C, VAL43D