2VRQ

structure of an inactive mutant of arabinofuranosidase from thermobacillus xylanilyticus in complex with a pentasaccharide

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 94
  • Norm. En. per Res.: -3.6651
• 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	-36.4626	-31.5275	-220.249	-288.2391	91	14	1	8505	3	28	20
A-C	-61.4547	-50.944	-232.12	-344.5187	94	10	0	8137	3	28	18
B-C	-28.9275	-21.3699	-206.486	-256.7834	92	10	1	8205	2	28	20

Interface residues

• A-B: ALA154B, ALA186A, ALA190B, ALA230B, ALA76A, ARG185A, ARG185B, ARG194B, ARG201B, ARG91A, ARG93A, ASN106A, ASN129A, ASN155B, ASN175A, ASN177A, ASN183A, ASN202B, ASN96A, ASP148B, ASP191A, ASP191B, ASP77A, ASP83A, CYS180A, CYS74A, GLN136B, GLN176A, GLN195B, GLN197B, GLN229B, GLU104A, GLU137A, GLU137B, GLU140B, GLU143B, GLU150B, GLU187A, GLU187B, GLU78A, GLY100A, GLY101A, GLY131A, GLY133A, GLY149B, GLY174A, GLY179A, GLY181A, GLY182A, GLY204B, HIS80A, HIS98A, ILE103A, LEU192A, LEU192B, LEU200B, LYS210B, LYS228B, LYS92A, MET153B, MET184A, MET94A, PHE147B, PHE196A, PHE196B, PHE233B, PHE75A, PRO152B, PRO232B, SER132A, SER139B, SER151B, THR134A, THR134B, THR198B, THR97A, TRP178A, TRP222A, TYR188A, TYR188B, TYR189A, TYR189B, TYR193B, TYR199B, TYR203B, TYR79A, VAL102A, VAL130A, VAL135B, VAL225B, VAL95A
• A-C: ALA154A, ALA186C, ALA190A, ALA230A, ALA76C, ARG158A, ARG185A, ARG185C, ARG194A, ARG201A, ARG91C, ARG93C, ASN106C, ASN129C, ASN155A, ASN175C, ASN177C, ASN183C, ASN202A, ASN206A, ASN96C, ASP148A, ASP191A, ASP191C, ASP205A, ASP77C, ASP83C, CYS180C, CYS74C, GLN136A, GLN176C, GLN195A, GLN197A, GLN229A, GLU104C, GLU137A, GLU137C, GLU140A, GLU143A, GLU150A, GLU187A, GLU187C, GLU78C, GLY101C, GLY131C, GLY133C, GLY149A, GLY174C, GLY179C, GLY181C, GLY182C, GLY204A, HIS80C, HIS98C, ILE103C, LEU192A, LEU192C, LYS207A, LYS210A, LYS228A, LYS92C, MET153A, MET184C, MET94C, PHE147A, PHE196A, PHE196C, PHE233A, PHE75C, PRO152A, PRO165A, PRO232A, SER132C, SER139A, SER151A, THR134A, THR134C, THR198A, THR97C, TRP178C, TRP222C, TRP99C, TYR188A, TYR188C, TYR189C, TYR193A, TYR199A, TYR203A, TYR79C, VAL102C, VAL130C, VAL135A, VAL225A, VAL95C
• B-C: ALA154C, ALA186B, ALA190C, ALA230C, ALA76B, ARG158C, ARG185B, ARG185C, ARG194C, ARG201C, ARG91B, ARG93B, ASN106B, ASN129B, ASN155C, ASN175B, ASN177B, ASN183B, ASN202C, ASN96B, ASP148C, ASP191B, ASP191C, ASP77B, ASP83B, CYS180B, CYS74B, GLN136C, GLN176B, GLN195B, GLN195C, GLN197C, GLN229C, GLU104B, GLU137B, GLU137C, GLU140C, GLU143C, GLU150C, GLU187B, GLU187C, GLU78B, GLY100B, GLY101B, GLY131B, GLY133B, GLY149C, GLY179B, GLY181B, GLY182B, GLY204C, HIS80B, HIS98B, ILE103B, LEU192B, LEU192C, LEU200C, LYS210C, LYS228C, LYS82C, LYS92B, MET153C, MET184B, MET94B, PHE147C, PHE196B, PHE196C, PHE233C, PHE75B, PRO152C, PRO232C, SER132B, SER139C, SER151C, THR134B, THR134C, THR198C, THR97B, TRP178B, TRP222B, TYR188B, TYR188C, TYR189B, TYR193C, TYR199C, TYR203C, TYR79B, VAL102B, VAL130B, VAL135C, VAL225C, VAL95B