3OS6

crystal structure of putative 2,3-dihydroxybenzoate-specific isochorismate synthase, dhbc from bacillus anthracis.

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 81
  • Norm. En. per Res.: -3.4898
• Hub Node: A(2)

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	-67.9468	42.5215	-221.012	-246.4373	79	16	5	8673	1	44	39
A-C	-41.9173	-12.8184	-103.593	-158.3287	46	4	0	4233	2	17	19
C-D	-65.9745	6.52	-223.218	-282.6725	81	12	5	8841	2	46	39

Interface residues

• A-B: ALA56A, ALA56B, ALA61A, ALA61B, ALA64A, ALA64B, ARG59A, ARG59B, ASN60A, ASN60B, ASP183A, ASP183B, GLN55A, GLN55B, GLN63A, GLN63B, GLN84A, GLN84B, GLU184A, GLU184B, GLU186B, GLU326A, GLU38A, GLU38B, GLU46A, GLU46B, GLU48A, GLU52A, GLU52B, GLU82A, GLU82B, GLU89A, GLU89B, GLY37A, GLY37B, HIS44A, HIS44B, HIS45A, HIS45B, ILE47A, ILE86A, ILE86B, LEU53A, LEU53B, LEU58A, LEU58B, LEU85A, LEU85B, LYS182A, LYS182B, LYS189A, LYS43A, LYS43B, LYS81A, PHE327A, PHE39A, PHE39B, PHE50A, PHE50B, PRO181A, PRO181B, PRO51A, PRO51B, SER49A, SER49B, THR40A, THR40B, THR41A, THR41B, VAL42A, VAL42B, VAL54A, VAL54B, VAL57A, VAL57B, VAL83A, VAL83B, VAL87A, VAL87B
• A-C: ALA250A, ALA251A, ARG254A, ARG358C, ASP120C, ASP150C, CYS257A, GLU114C, GLU247A, GLU264A, GLU284A, GLY283A, HIS121C, HIS258A, LEU111C, LEU149C, LEU253A, LEU260A, LEU386C, LEU391C, LYS152C, LYS265A, LYS282A, LYS286A, PHE113C, PHE323C, PRO117C, PRO119C, PRO255A, PRO263A, PRO322C, SER148C, SER153C, SER154C, SER267A, THR112C, THR116C, THR259A, TYR256A, TYR261A, VAL118C, VAL123C, VAL151C, VAL246A, VAL262A, VAL281A
• C-D: ALA56C, ALA56D, ALA61C, ALA61D, ALA64C, ALA64D, ARG59C, ARG59D, ASN185C, ASN187D, ASN60C, ASN60D, ASP183C, ASP183D, GLN353D, GLN55C, GLN55D, GLN63C, GLN63D, GLN84C, GLN84D, GLU184C, GLU186C, GLU186D, GLU326D, GLU38C, GLU38D, GLU46C, GLU46D, GLU48D, GLU52C, GLU52D, GLU82C, GLU82D, GLU89C, GLU89D, GLY37C, GLY37D, HIS44C, HIS44D, HIS45C, HIS45D, ILE47D, ILE86C, ILE86D, LEU180D, LEU53C, LEU53D, LEU58C, LEU58D, LEU85C, LEU85D, LYS182C, LYS182D, LYS189D, LYS43C, LYS43D, PHE327D, PHE39C, PHE39D, PHE50C, PHE50D, PRO181D, PRO51C, PRO51D, SER49C, SER49D, THR40C, THR40D, THR41C, THR41D, VAL42C, VAL42D, VAL54C, VAL54D, VAL57C, VAL57D, VAL83C, VAL83D, VAL87C, VAL87D