3DTO

crystal structure of the metal-dependent hd domain- containing hydrolase bh2835 from bacillus halodurans, northeast structural genomics consortium target bhr130.

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 110
  • Norm. En. per Res.: -3.3046
• Hub Node: A(1)

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	-25.0042	-21.4749	-317.026	-363.5051	110	11	19	12564	0	38	30
B-C	-4.3411	-17.2301	-29.0164	-50.5876	44	5	0	1896	0	18	24
C-D	-25.8248	-21.0432	-314.631	-361.4989	111	10	18	12532	0	38	29

Interface residues

• A-B: ALA129A, ALA129B, ALA133A, ALA133B, ALA137A, ALA137B, ALA169A, ALA169B, ALA39A, ARG134A, ARG134B, ARG196A, ARG196B, ARG206A, ARG206B, ARG31A, ARG31B, ARG32A, ARG32B, ASN141A, ASN141B, ASN212A, ASN212B, ASP125A, ASP125B, ASP148A, ASP148B, ASP26A, ASP26B, GLN144A, GLN144B, GLN202A, GLN202B, GLU150A, GLU150B, GLU195A, GLU195B, GLU205A, GLU205B, GLU210A, GLU210B, GLY128A, GLY128B, GLY131A, GLY131B, GLY140A, GLY140B, GLY143A, GLY143B, GLY213A, GLY213B, HIS29A, HIS29B, ILE130A, ILE130B, ILE132A, ILE132B, ILE146A, ILE146B, ILE170A, ILE170B, ILE204A, ILE204B, LEU124A, LEU124B, LEU127A, LEU127B, LEU151A, LEU151B, LEU208A, LEU208B, LEU35A, LEU35B, LYS142A, LYS142B, LYS15A, LYS15B, PHE136A, PHE136B, PHE173A, PHE173B, PHE199A, PHE199B, PHE203A, PHE203B, PHE207A, PHE207B, PRO145A, PRO145B, PRO149A, PRO149B, SER139A, SER139B, SER209A, SER209B, THR135A, THR135B, TRP211A, TRP211B, TRP27A, TRP27B, TYR138A, TYR138B, TYR147A, TYR147B, TYR28A, TYR28B, VAL198A, VAL198B, VAL33A
• B-C: ALA5C, ALA72C, ALA82C, ALA83C, ARG123B, ARG163B, ASN2C, ASN98B, ASN98C, ASP62B, ASP78C, ASP91C, ASP95B, ASP95C, GLN17C, GLN74C, GLN75C, GLN88C, GLU160B, GLU161B, GLU70B, GLU70C, GLU81C, GLY84C, HIS164B, HIS92C, ILE100B, ILE61B, ILE77C, ILE90C, LEU183B, LYS16C, LYS176B, LYS73C, SER87C, SER9C, THR158B, THR71C, THR99B, THR99C, TRP13C, TRP79C, TYR162B, VAL159B
• C-D: ALA129C, ALA129D, ALA133C, ALA133D, ALA137C, ALA137D, ALA169C, ALA169D, ALA39C, ALA39D, ARG134C, ARG134D, ARG196C, ARG196D, ARG206C, ARG206D, ARG31C, ARG31D, ARG32C, ARG32D, ASN141C, ASN141D, ASN212C, ASN212D, ASP125C, ASP125D, ASP148C, ASP148D, ASP26C, ASP26D, GLN144C, GLN144D, GLN202C, GLN202D, GLU150C, GLU150D, GLU195C, GLU195D, GLU205C, GLU205D, GLU210C, GLU210D, GLY128C, GLY128D, GLY131C, GLY131D, GLY140C, GLY140D, GLY143C, GLY143D, GLY213C, GLY213D, HIS29C, HIS29D, ILE130C, ILE130D, ILE132C, ILE132D, ILE146C, ILE146D, ILE170C, ILE170D, ILE204C, ILE204D, LEU124C, LEU124D, LEU127C, LEU127D, LEU151C, LEU151D, LEU208C, LEU208D, LEU35C, LEU35D, LYS142C, LYS142D, LYS15C, LYS15D, PHE136C, PHE136D, PHE173C, PHE173D, PHE199C, PHE199D, PHE203C, PHE203D, PHE207C, PHE207D, PRO145C, PRO145D, PRO149C, PRO149D, SER139C, SER139D, SER209C, SER209D, THR135C, THR135D, TRP211C, TRP211D, TRP27C, TRP27D, TYR138C, TYR138D, TYR147C, TYR147D, TYR28C, TYR28D, VAL198C, VAL198D, VAL33C