1TR1

crystal structure of e96k mutated beta-glucosidase a from bacillus polymyxa, an enzyme with increased thermoresistance

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 59
  • Norm. En. per Res.: -2.2446
• 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	-7.9131	-25.0193	-94.979	-127.9114	60	6	0	3460	3	14	13
A-D	-8.4595	-24.9043	-97.3391	-130.7028	59	5	0	3514	3	14	13
B-C	-6.7046	-23.6127	-97.6256	-127.9429	60	6	0	3549	3	15	14
C-D	-7.6055	-24.7582	-100.067	-132.4306	59	5	0	3564	3	15	13

Interface residues

• A-B: ALA39A, ARG413A, ARG422A, ARG436B, ARG447B, ARG448B, ASN363A, ASN363B, ASN411A, ASN437B, ASN441B, ASN442B, ASN47A, ASN50A, ASN52A, ASP420A, ASP49A, GLN367B, GLN376B, GLN424A, GLN5B, GLU360A, GLU430B, GLU445B, GLU70B, GLY364B, GLY43A, GLY48A, HIS40A, HIS418A, ILE372B, ILE3B, LEU444B, LYS365B, LYS429B, LYS44A, PHE38A, PHE421A, PHE46A, PHE4B, PHE6B, PRO428B, PRO42A, SER431B, SER440B, THR41A, THR423A, THR427B, TRP434B, TRP443B, TYR25A, TYR410A, TYR432B, TYR433B, VAL361A, VAL362A, VAL366B, VAL438B, VAL45A, VAL53A
• A-D: ALA39D, ARG422D, ARG436A, ARG447A, ARG448A, ASN363A, ASN363D, ASN411D, ASN437A, ASN441A, ASN442A, ASN47D, ASN50D, ASN52D, ASP420D, ASP49D, GLN367A, GLN376A, GLN424D, GLN5A, GLU360D, GLU430A, GLU445A, GLU70A, GLY364A, GLY43D, GLY48D, HIS40D, HIS418D, ILE372A, ILE3A, LEU444A, LYS365A, LYS429A, LYS44D, PHE38D, PHE421D, PHE46D, PHE4A, PHE6A, PRO428A, PRO42D, SER431A, SER440A, THR41D, THR423D, THR427A, TRP434A, TRP443A, TYR25D, TYR410D, TYR432A, TYR433A, VAL361D, VAL362D, VAL366A, VAL438A, VAL45D, VAL53D
• B-C: ALA39B, ARG413B, ARG422B, ARG436C, ARG447C, ARG448C, ASN363B, ASN363C, ASN411B, ASN437C, ASN441C, ASN442C, ASN47B, ASN50B, ASN52B, ASP420B, ASP49B, GLN367C, GLN376C, GLN424B, GLN5C, GLU360B, GLU430C, GLU445C, GLU70C, GLY364C, GLY43B, GLY48B, HIS40B, HIS418B, ILE372C, ILE3C, LEU444C, LYS365C, LYS429C, LYS44B, PHE38B, PHE421B, PHE46B, PHE4C, PHE6C, PRO428C, PRO42B, SER431C, SER440C, THR41B, THR423B, THR427C, TRP434C, TRP443C, TYR25B, TYR410B, TYR432C, TYR433C, VAL361B, VAL362B, VAL366C, VAL438C, VAL45B, VAL53B
• C-D: ALA39C, ARG422C, ARG436D, ARG447D, ARG448D, ASN363C, ASN363D, ASN411C, ASN437D, ASN441D, ASN442D, ASN47C, ASN50C, ASN52C, ASP420C, ASP49C, GLN367D, GLN376D, GLN424C, GLN5D, GLU360C, GLU430D, GLU445D, GLU70D, GLY364D, GLY43C, GLY48C, HIS40C, HIS418C, ILE372D, ILE3D, LEU444D, LYS365D, LYS429D, LYS44C, PHE38C, PHE421C, PHE46C, PHE4D, PHE6D, PRO428D, PRO42C, SER431D, SER440D, THR41C, THR423C, THR427D, TRP434D, TRP443D, TYR25C, TYR410C, TYR432D, TYR433D, VAL361C, VAL362C, VAL366D, VAL438D, VAL45C, VAL53C