3L8H

crystal structure of d,d-heptose 1.7-bisphosphate phosphatase from b. bronchiseptica complexed with magnesium and phosphate

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 69
  • Norm. En. per Res.: -2.804
• 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	0.0	10.0423	-93.2653	-83.223	50	2	5	4002	0	18	22
A-C	-75.4851	74.5148	-192.508	-193.4783	69	8	6	7217	0	7	15
B-D	-79.9068	74.786	-190.275	-195.3958	71	14	6	7287	0	6	15

Interface residues

• A-B: ALA63A, ALA63B, ALA67A, ALA67B, ALA75B, ALA77A, ALA77B, ALA85A, ARG112A, ARG113A, ARG74A, ARG74B, ASN66A, ASN66B, ASP115A, ASP61A, ASP61B, ASP70A, ASP70B, ASP84A, ASP84B, GLN78B, GLY80B, GLY81B, HIS69A, HIS69B, HIS73A, HIS73B, ILE68A, ILE86A, LEU65A, LEU65B, LEU76B, LYS71A, LYS71B, PHE87A, PRO23A, PRO23B, THR40B, THR45A, THR62A, THR62B, THR64A, THR64B, TYR114A, VAL47A, VAL82A, VAL82B, VAL83A, VAL83B
• A-C: ALA119C, ALA140A, ALA140C, ALA154A, ALA154C, ALA169C, ALA170A, ALA170C, ARG150A, ARG150C, ARG163A, ARG163C, ASP167A, ASP167C, CYS139C, CYS165A, CYS165C, GLN145A, GLN145C, GLN155A, GLN155C, GLN174A, GLN174C, GLN177A, GLN177C, GLU160A, GLU160C, GLU166A, GLU166C, GLU173A, GLU173C, GLU178A, GLU178C, GLY120A, GLY120C, GLY149C, GLY156A, GLY156C, GLY157A, GLY157C, GLY161A, GLY161C, LEU128C, LEU131A, LEU131C, LEU143A, LEU143C, LEU153A, LEU153C, LEU158A, LEU158C, LYS151A, LYS151C, PRO141A, PRO141C, PRO159A, PRO159C, THR152A, THR152C, THR162A, THR162C, TRP142A, TRP142C, VAL144A, VAL144C, VAL164A, VAL164C, VAL171A, VAL171C
• B-D: ALA119B, ALA119D, ALA140B, ALA140D, ALA154B, ALA154D, ALA169D, ALA170B, ALA170D, ARG150B, ARG150D, ARG163B, ARG163D, ASP167B, ASP167D, CYS139B, CYS139D, CYS165B, CYS165D, GLN145B, GLN145D, GLN155B, GLN155D, GLN174B, GLN174D, GLN177B, GLN177D, GLU160B, GLU160D, GLU166B, GLU166D, GLU173B, GLU173D, GLU178B, GLU178D, GLY120B, GLY120D, GLY149D, GLY156B, GLY156D, GLY157B, GLY157D, GLY161B, GLY161D, LEU128D, LEU131B, LEU131D, LEU143B, LEU143D, LEU153B, LEU153D, LEU158B, LEU158D, LYS151B, LYS151D, PRO141B, PRO141D, PRO159B, PRO159D, THR152B, THR152D, THR162B, THR162D, TRP142B, TRP142D, VAL144B, VAL144D, VAL164B, VAL164D, VAL171B, VAL171D