3CHF

crystal structure of aspergillus fumigatus chitinase b1 in complex with tetrapeptide

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 41
  • Norm. En. per Res.: -2.9554
• 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	-18.2223	-2.7679	-100.183	-121.1732	41	4	0	3798	0	11	7
A-C	0.0	12.7076	-7.0012	5.7064	7	0	0	217	0	1	3
B-D	0.0	15.651	-5.5513	10.0997	9	0	0	219	0	1	3

Interface residues

• A-B: ARG126A, ARG428A, ASN109B, ASN110B, ASN125A, ASN415A, ASN426B, ASN429A, ASP102B, ASP106B, ASP418A, ASP425B, GLN124A, GLN414A, GLN423B, GLN432A, GLU416A, GLU96B, GLY108B, GLY430A, HIS98B, ILE95B, LEU120A, LEU417A, LEU427A, LYS122A, LYS123A, LYS97B, MET431A, PRO420A, SER103B, SER105B, THR107B, THR433A, TRP104B, TRP92B, TYR112B, TYR119A, TYR419A, TYR424B, VAL111B
• A-C: ARG301A, ASP444C, GLU322A, PHE251A, SER250A, THR138A, TRP137A
• B-D: ARG301B, ASN323B, ASP444D, GLU322B, PHE251B, SER250B, THR138B, TRP137B, VAL325B