1TE1

crystal structure of family 11 xylanase in complex with inhibitor (xip-i)

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 99
  • Norm. En. per Res.: -3.2694
• Hub Node: A(1)

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	-31.9415	-45.0497	-246.68	-323.6713	99	8	1	9288	4	18	5

Interface residues

• A-B: ALA118A, ALA140A, ALA144A, ALA214A, ARG121B, ARG149A, ARG183A, ARG216A, ASN123B, ASN147A, ASN169B, ASN20B, ASN249A, ASP117A, ASP121A, ASP41B, ASP44B, CYS42B, CYS66A, GLN124B, GLN135B, GLN67A, GLN6B, GLN7A, GLU128B, GLU142A, GLU176B, GLU179B, GLU182A, GLU24B, GLU85B, GLY129B, GLY150A, GLY151A, GLY153A, GLY177B, GLY179A, GLY21B, GLY22B, GLY23B, GLY43B, GLY70A, GLY8B, HIS146A, HIS157A, HIS65A, ILE127B, ILE148A, ILE172B, ILE180A, LEU141A, LEU143A, LEU156A, LEU158A, LYS145A, LYS154A, LYS64A, LYS69A, PHE133B, PHE17B, PHE181A, PHE45B, PRO125B, PRO152A, PRO155A, PRO213A, PRO72A, SER126B, SER131B, SER16B, SER174B, SER47B, SER5B, SER68A, THR130B, THR132B, THR178A, THR19B, THR215A, THR3B, THR46B, THR4B, THR7B, TRP119A, TRP137B, TRP18B, TRP78B, TYR14B, TYR15B, TYR170B, TYR178B, TYR212A, TYR72B, TYR76B, TYR87B, VAL122B, VAL25B, VAL40B, VAL71A