2YDP

structure of the e242a mutant of the alpha-l-arabinofuranosidase arb93a from fusarium graminearum in complex with an iminosugar inhibitor

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 88
  • Norm. En. per Res.: -1.9286
• 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	-16.7473	-8.1107	-139.748	-164.6061	86	1	2	6249	0	27	30
A-C	-21.9631	-6.3326	-141.425	-169.7207	88	5	2	6395	0	26	27

Interface residues

• A-B: ALA218B, ALA222B, ALA251B, ALA274B, ALA362A, ALA370A, ARG262B, ARG311A, ARG339A, ARG374A, ASN219B, ASN248B, ASN272B, ASN27A, ASN366A, ASP282A, ASP32A, ASP330A, GLN277B, GLN333A, GLN41A, GLU29A, GLU313A, GLU377A, GLY22A, GLY245B, GLY246B, GLY283B, GLY363A, GLY364A, GLY80A, HIS193B, HIS275B, HIS276B, ILE278B, LEU263B, LEU271B, LYS216B, LYS23A, LYS265B, LYS269B, LYS273B, LYS328A, LYS365A, LYS380A, LYS81A, MET379A, PHE25A, PHE270B, PHE31A, PRO247B, PRO249B, PRO250B, PRO332A, PRO334A, PRO33A, PRO34A, SER264B, SER26A, SER280B, SER312A, SER369A, SER371A, THR192B, THR215B, THR24A, THR284B, THR285B, THR335A, THR35A, THR367A, THR82A, TRP256B, TRP329A, TYR217B, TYR220B, TYR241B, TYR243B, TYR260B, VAL279B, VAL28A, VAL331A, VAL368A, VAL372A, VAL373A, VAL378A
• A-C: ALA218A, ALA222A, ALA251A, ALA274A, ALA362C, ALA370C, ARG262A, ARG311C, ARG339C, ARG374C, ASN219A, ASN248A, ASN272A, ASN27C, ASN366C, ASP282C, ASP32C, ASP330C, GLN277A, GLN333C, GLN41C, GLU236A, GLU29C, GLU313C, GLU377C, GLY22C, GLY245A, GLY246A, GLY283A, GLY363C, GLY364C, GLY80C, HIS193A, HIS275A, HIS276A, ILE278A, ILE30C, LEU263A, LEU271A, LYS216A, LYS265A, LYS269A, LYS273A, LYS328C, LYS365C, LYS380C, LYS81C, PHE25C, PHE270A, PHE31C, PRO247A, PRO249A, PRO250A, PRO332C, PRO334C, PRO33C, PRO34C, SER264A, SER26C, SER280A, SER312C, SER369C, SER371C, THR192A, THR215A, THR24C, THR284A, THR285A, THR335C, THR35C, THR367C, THR82C, TRP256A, TRP329C, TRP83C, TYR217A, TYR220A, TYR241A, TYR243A, TYR260A, VAL279A, VAL28C, VAL331C, VAL368C, VAL372C, VAL373C, VAL378C, VAL42C