2V8M

carbohydrate-binding of the starch binding domain of rhizopus oryzae glucoamylase in complex with beta- cyclodextrin and maltoheptaose

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 83
  • Norm. En. per Res.: -3.7788
• 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	-81.9165	11.0667	-242.789	-313.6388	83	11	4	9031	0	5	8
A-C	0.0	0.0	-5.8555	-5.8555	21	0	0	378	0	1	3
A-D	-9.8727	0.0	-84.0232	-93.8959	35	5	1	3180	0	0	0
B-C	-19.8884	0.0	-83.6731	-103.5615	34	7	1	3126	0	0	0
B-D	0.0	0.0	-8.7072	-8.7072	18	0	0	474	0	1	2

Interface residues

• A-B: ALA100A, ALA100B, ALA1A, ALA1B, ALA7A, ALA7B, ASN101A, ASN101B, ASN15A, ASN15B, ASN96A, ASN96B, ASN97A, ASN97B, ASN98A, ASN98B, ASP12A, ASP12B, ASP17A, ASP17B, ASP45A, ASP45B, ASP95A, ASP95B, GLN103A, GLN103B, GLN10A, GLN10B, GLU81A, GLU81B, GLY18A, GLY23A, GLY23B, ILE25A, ILE3A, ILE3B, ILE62A, ILE84B, LEU11A, LEU11B, LYS24A, LYS24B, LYS80A, LYS80B, PHE82A, PHE82B, PRO4A, PRO4B, SER105A, SER105B, SER13A, SER13B, SER22A, SER22B, SER2A, SER2B, SER5A, SER5B, SER6A, SER6B, SER8A, SER99A, SER99B, THR106A, THR106B, TRP47A, TRP47B, TYR102A, TYR102B, TYR14A, TYR14B, TYR16A, TYR16B, TYR26A, TYR26B, TYR67A, TYR67B, TYR69A, TYR69B, VAL104A, VAL104B, VAL9A, VAL9B
• A-C: ALA41A, ASN29C, ASN46A, ASN49A, ASN50A, ASP42A, ASP45A, GLN103A, GLU81A, GLY60C, GLY64C, ILE62C, LYS80A, PHE58C, PRO61C, SER44A, SER59C, SER63C, SER99A, TRP47A, TYR32C
• A-D: ALA1A, ALA7D, ASN29D, ASN66A, ASN66D, ASP12A, GLU68D, GLY60D, GLY64A, GLY64D, ILE30D, ILE3A, ILE3D, ILE62A, ILE62D, LYS24A, LYS28D, PHE58D, PRO4A, PRO4D, PRO61A, PRO61D, SER2A, SER5D, SER63A, SER63D, SER65A, SER65D, SER6D, SER8D, TYR26A, TYR67A, TYR67D, TYR69A, VAL27D
• B-C: ALA1B, ALA7C, ASN29C, ASN66B, ASN66C, ASP12B, GLU68C, GLY64B, GLY64C, ILE30C, ILE3B, ILE3C, ILE62B, ILE62C, LYS24B, LYS28C, PHE58C, PRO4B, PRO4C, PRO61B, PRO61C, SER2B, SER5C, SER63B, SER63C, SER65B, SER65C, SER6C, SER8C, TYR26B, TYR67B, TYR67C, TYR69B, VAL27C
• B-D: ALA41B, ASN46B, ASP42B, ASP45B, GLN103B, GLU81B, GLY43B, GLY60D, GLY64D, ILE62D, LYS80B, PHE58D, PRO61D, SER44B, SER59D, SER63D, SER65D, TRP47B