3B00

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

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 56
  • Norm. En. per Res.: -2.4078
• 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	-6.3267	80.4473	-72.3875	1.7331	49	0	0	2835	0	19	35
A-C	-3.1681	4.6294	-136.299	-134.8377	56	4	4	5487	0	17	23
A-D	0.0	51.6715	-50.0525	1.619	40	0	0	1977	0	23	21
B-D	-2.1258	5.6036	-139.852	-136.3742	59	1	4	5571	0	19	28
C-D	-4.2368	70.3131	-91.5482	-25.4719	56	1	0	3518	0	15	36

Interface residues

• A-B: ALA208B, ASN34A, ASN45A, ASP186B, ASP188B, ASP205B, ASP237A, ASP80A, GLN71A, GLU184B, GLU187B, GLU189B, GLU191B, GLU206B, GLU209B, GLU238A, GLU47A, GLU49A, GLU8B, GLY211B, GLY229A, GLY230A, GLY234A, GLY42A, GLY44A, GLY46A, HIS200B, LEU198B, LEU202B, LEU207B, LEU210B, LEU48A, LYS109A, LYS204B, LYS69A, PRO236A, PRO41A, SER203B, THR239A, THR78A, TRP43A, TYR193B, TYR199B, TYR231A, TYR235A, TYR79A, TYR81A, VAL201B, VAL228A
• A-C: ALA164A, ALA164C, ARG102A, ARG102C, ARG144A, ARG144C, ASP177A, ASP177C, ASP195A, ASP195C, GLN197A, GLN197C, GLU169A, GLU169C, GLU8A, GLY170A, GLY170C, GLY196A, GLY196C, HIS166A, HIS166C, HIS179A, HIS179C, HIS200A, HIS200C, ILE180A, ILE180C, LEU167A, LEU167C, LEU198A, LEU198C, LYS98A, PHE174A, PHE174C, PHE178A, PHE178C, PRO168A, PRO168C, PRO172A, PRO172C, TRP192A, TRP192C, TYR165A, TYR165C, TYR193A, TYR193C, TYR199A, TYR199C, VAL163A, VAL163C, VAL171A, VAL171C, VAL194A, VAL194C, VAL201A, VAL201C
• A-D: ARG144A, ARG144D, ASP173A, ASP173D, ASP177A, ASP177D, ASP237A, ASP237D, GLN241A, GLN241D, GLN244D, GLU169A, GLU169D, GLU176A, GLU176D, GLU238A, GLU238D, GLY108A, GLY108D, GLY170A, GLY170D, LEU167A, LYS104A, LYS104D, LYS107A, LYS107D, LYS109A, PHE178D, PRO168A, PRO172A, PRO172D, SER175A, SER175D, THR239A, THR239D, THR240A, THR240D, TYR247D, VAL171A, VAL171D
• B-D: ALA164B, ALA164D, ARG102B, ARG102D, ARG144B, ASP173B, ASP177B, ASP177D, ASP195B, ASP195D, GLN197B, GLN197D, GLU169B, GLU169D, GLU176D, GLY170B, GLY170D, GLY196B, GLY196D, HIS166B, HIS166D, HIS179B, HIS179D, HIS200B, HIS200D, ILE180B, ILE180D, LEU167B, LEU167D, LEU198B, LEU198D, LYS98B, LYS98D, PHE174B, PHE174D, PHE178B, PHE178D, PHE181D, PRO168B, PRO168D, PRO172B, PRO172D, TRP10B, TRP192B, TRP192D, TYR165B, TYR165D, TYR193B, TYR193D, TYR199B, TYR199D, VAL163B, VAL163D, VAL171B, VAL171D, VAL194B, VAL194D, VAL201B, VAL201D
• C-D: ALA208C, ASN34D, ASN45D, ASP188C, ASP205C, ASP237D, ASP80D, GLN197C, GLN71D, GLU187C, GLU189C, GLU191C, GLU206C, GLU209C, GLU238D, GLU47D, GLU49D, GLY229D, GLY230D, GLY234D, GLY35D, GLY42D, GLY44D, GLY46D, GLY77D, HIS200C, HIS36D, ILE40D, LEU198C, LEU202C, LEU207C, LEU210C, LEU48D, LYS204C, LYS69D, PRO236D, PRO41D, SER203C, SER73D, THR239D, THR240D, THR78D, TRP192C, TRP43D, TYR193C, TYR199C, TYR231D, TYR235D, TYR50D, TYR76D, TYR79D, TYR81D, VAL163C, VAL201C, VAL228D, VAL72D