3AZZ

crystal structure of the laminarinase catalytic domain from thermotoga maritima msb8 in complex with gluconolactone

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 53
  • Norm. En. per Res.: -2.7092
• 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	-7.0816	0.9275	-137.434	-143.5881	53	1	4	5581	0	16	24
A-C	0.0	51.2074	-51.1151	0.0923	43	0	0	1995	0	23	19
A-D	0.0	81.4571	-72.3784	9.0787	47	0	0	2803	0	18	35
B-C	-7.7232	67.8795	-95.5251	-35.3688	55	0	0	3427	0	14	34
C-D	0.0	5.6693	-136.99	-131.3207	62	1	4	5484	0	19	27

Interface residues

• A-B: ALA164A, ALA164B, ARG102B, ARG144A, ARG144B, ASP177A, ASP177B, ASP195A, ASP195B, GLN197A, GLN197B, GLU169A, GLU169B, GLY170A, GLY170B, GLY196A, GLY196B, HIS166A, HIS166B, HIS179A, HIS179B, HIS200A, HIS200B, ILE180A, ILE180B, LEU167A, LEU167B, LEU198A, LEU198B, PHE174A, PHE174B, PHE178A, PHE178B, PRO168A, PRO168B, PRO172A, PRO172B, TRP192A, TRP192B, TYR165A, TYR165B, TYR193A, TYR193B, TYR199A, TYR199B, VAL163A, VAL163B, VAL171A, VAL171B, VAL194A, VAL194B, VAL201A, VAL201B
• A-C: ARG144A, ARG144C, ASP173A, ASP173C, ASP177A, ASP177C, ASP237A, ASP237C, GLN241A, GLN241C, GLN244C, GLU169A, GLU169C, GLU176A, GLU176C, GLU238A, GLU238C, GLY108A, GLY108C, GLY170A, GLY170C, HIS141A, HIS141C, LEU167A, LYS104A, LYS104C, LYS107A, LYS107C, LYS109A, LYS109C, PHE178C, PRO168A, PRO172A, PRO172C, SER175A, SER175C, THR239A, THR239C, THR240A, THR240C, TYR247C, VAL171A, VAL171C
• A-D: ALA208D, ASN34A, ASN45A, ASP188D, ASP205D, ASP237A, ASP80A, GLN71A, GLU184D, GLU187D, GLU189D, GLU191D, GLU206D, GLU209D, GLU238A, GLU47A, GLU49A, GLU8D, GLY211D, GLY229A, GLY230A, GLY234A, GLY42A, GLY44A, GLY46A, HIS200D, LEU198D, LEU202D, LEU207D, LEU210D, LEU48A, LYS109A, LYS204D, LYS69A, PRO236A, PRO41A, SER203D, THR239A, THR78A, TRP43A, TYR193D, TYR231A, TYR235A, TYR79A, TYR81A, VAL201D, VAL228A
• B-C: ALA208B, ASN34C, ASN45C, ASP188B, ASP205B, ASP237C, ASP80C, GLN197B, GLN71C, GLU187B, GLU189B, GLU191B, GLU206B, GLU209B, GLU238C, GLU47C, GLU49C, GLY229C, GLY230C, GLY234C, GLY35C, GLY42C, GLY44C, GLY46C, GLY77C, HIS200B, HIS36C, ILE40C, LEU198B, LEU202B, LEU207B, LEU210B, LEU48C, LYS204B, LYS69C, PRO236C, PRO41C, SER203B, SER73C, THR239C, THR240C, THR78C, TRP192B, TRP43C, TYR193B, TYR199B, TYR231C, TYR235C, TYR76C, TYR79C, TYR81C, VAL163B, VAL201B, VAL228C, VAL72C
• C-D: ALA164C, ALA164D, ARG102C, ARG102D, ARG144C, ARG144D, ASP173D, ASP177C, ASP177D, ASP195C, ASP195D, GLN197C, GLN197D, GLU169C, GLU169D, GLU176C, GLU184D, GLU8D, GLY170C, GLY170D, GLY196C, GLY196D, HIS166C, HIS166D, HIS179C, HIS179D, HIS200C, HIS200D, ILE180C, ILE180D, LEU167C, LEU167D, LEU198C, LEU198D, LYS98C, LYS98D, PHE174C, PHE174D, PHE178C, PHE178D, PHE181C, PRO168C, PRO168D, PRO172C, PRO172D, TRP10D, TRP192C, TRP192D, TYR165C, TYR165D, TYR193C, TYR193D, TYR199C, TYR199D, VAL163C, VAL163D, VAL171C, VAL171D, VAL194C, VAL194D, VAL201C, VAL201D