3I76

the crystal structure of the orthorhombic form of the putative had- hydrolase yfnb from bacillus subtilis bound to magnesium reveals interdomain movement

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 67
  • Norm. En. per Res.: -4.8159
• 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	-69.3769	-91.5232	-161.763	-322.663	67	12	2	5845	10	41	37
A-C	0.0	11.2349	-5.3661	5.8689	24	0	0	469	0	12	7
B-C	-9.9124	2.3638	-50.2423	-57.7908	34	1	0	2093	0	13	16

Interface residues

• A-B: ALA82B, ALA85B, ARG134A, ARG167A, ARG63A, ARG92B, ARG93B, ASN162A, ASN34B, ASN68B, ASP144A, ASP150A, ASP150B, ASP32B, ASP83B, GLN129A, GLN170A, GLN33B, GLN89B, GLU149A, GLU149B, GLU166A, GLU81B, GLU88B, GLU96B, GLU97B, GLY152B, GLY84B, HIS127A, HIS127B, ILE120A, ILE145A, ILE168A, ILE35B, LEU133A, LEU29B, LEU86B, LEU87B, LYS131A, LYS131B, LYS143A, LYS90B, PHE139A, PHE142A, PHE146A, PHE165A, PHE94B, PRO169A, SER126A, SER126B, SER148B, SER72B, THR128A, THR128B, THR151A, THR151B, THR69B, TYR119A, TYR130A, TYR160A, TYR163A, TYR163B, VAL125A, VAL125B, VAL147A, VAL147B, VAL164A
• A-C: ALA173A, ALA173C, ARG5A, ASP196C, GLN170A, GLN191C, GLU166A, GLU174A, GLU174C, GLY194C, HIS175A, HIS175C, ILE168A, ILE212C, LEU192C, LEU195C, LYS2A, LYS2C, PHE165A, PHE171A, SER172A, SER172C, THR197C, THR214C
• B-C: ARG134B, ARG167B, ARG167C, ARG5C, ASN162C, ASP144B, ASP144C, ASP150B, GLN170B, GLN170C, GLU166B, GLU166C, ILE120B, ILE145B, ILE168B, ILE168C, LEU118B, LYS143B, PHE139B, PHE141B, PHE142B, PHE146B, PHE165B, PHE165C, PHE171C, PRO140B, PRO169B, PRO169C, SER172C, TYR119B, TYR130B, TYR163B, TYR163C, VAL164B