3ZW2

structure of the lectin bambl from burkholderia ambifaria in complex with blood group h type 1 tetrasaccharide

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 74
  • Norm. En. per Res.: -3.0698
• 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	-18.7496	-1.0596	-199.233	-219.0422	76	8	4	7636	0	3	3
A-C	-25.4222	0.0	-201.746	-227.1682	74	6	4	7766	0	3	3
B-C	-19.4351	-1.1038	-202.177	-222.7159	76	7	4	7748	0	3	4

Interface residues

• A-B: ALA19B, ALA48A, ALA48B, ALA4A, ALA4B, ALA5B, ALA63A, ALA83A, ARG15B, ARG27B, ARG60A, ASN20B, ASN33B, ASN40B, ASN45A, ASN45B, ASP44A, ASP75A, CYS28B, CYS50A, CYS50B, CYS73A, GLN2A, GLN2B, GLU26B, GLU71A, GLY37B, GLY54A, GLY66A, GLY67A, GLY82A, GLY86A, GLY9B, HIS58A, ILE14B, ILE24B, ILE59A, ILE6A, ILE6B, LEU52A, LEU87A, LYS23B, MET1B, PHE39B, PRO12B, SER13B, SER32B, SER47A, SER47B, SER53A, SER65A, SER68A, SER7B, THR10B, THR11B, THR18B, THR25B, THR36B, THR3B, THR49A, THR64A, THR69A, THR70A, THR85A, TRP34B, TRP51A, TRP8B, TYR17B, TYR29B, TYR35B, TYR62A, TYR84A, VAL16B, VAL46A, VAL46B, VAL61A
• A-C: ALA19A, ALA48C, ALA4A, ALA4C, ALA5A, ALA63C, ALA83C, ARG15A, ARG27A, ARG60C, ASN20A, ASN33A, ASN40A, ASN45A, ASN45C, ASP44C, CYS28A, CYS50A, CYS50C, CYS73C, GLN2A, GLN2C, GLU26A, GLU71C, GLY37A, GLY54C, GLY66C, GLY67C, GLY82C, GLY86C, GLY9A, HIS58C, ILE14A, ILE24A, ILE59C, ILE6A, ILE6C, LEU52C, LEU87C, LYS23A, MET1A, PHE39A, PRO12A, SER13A, SER32A, SER47A, SER47C, SER53C, SER65C, SER68C, SER7A, THR10A, THR11A, THR18A, THR25A, THR36A, THR3A, THR49C, THR64C, THR69C, THR70C, THR85C, TRP34A, TRP51C, TRP8A, TYR17A, TYR29A, TYR35A, TYR62C, TYR84C, VAL16A, VAL46A, VAL46C, VAL61C
• B-C: ALA19C, ALA48B, ALA4B, ALA4C, ALA5C, ALA63B, ALA83B, ARG15C, ARG27C, ARG60B, ASN20C, ASN33C, ASN40C, ASN45B, ASN45C, ASP44B, ASP75B, CYS28C, CYS50B, CYS50C, CYS73B, GLN2B, GLN2C, GLU26C, GLU71B, GLY37C, GLY54B, GLY66B, GLY67B, GLY82B, GLY86B, GLY9C, HIS58B, ILE14C, ILE24C, ILE59B, ILE6B, ILE6C, LEU52B, LEU87B, LYS23C, MET1C, PHE39C, PRO12C, SER13C, SER32C, SER47B, SER47C, SER53B, SER65B, SER68B, SER7C, THR10C, THR11C, THR18C, THR25C, THR36C, THR3C, THR49B, THR49C, THR64B, THR69B, THR70B, THR85B, TRP34C, TRP51B, TRP8C, TYR17C, TYR29C, TYR35C, TYR62B, TYR84B, VAL16C, VAL46B, VAL46C, VAL61B