3QDU

structure of boletus edulis lectin in complex with n,n-diacetyl chitobiose

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 96
  • Norm. En. per Res.: -4.1319
• Hub Node: A(3)

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	-23.3627	5.9787	-29.5387	-46.9226	20	3	1	1353	0	4	6
A-C	0.0	-58.3712	-197.32	-255.6912	66	2	0	7014	4	18	24
A-D	-76.4406	0.1013	-299.849	-376.1882	97	11	5	12002	0	18	15
B-C	-87.5906	-1.6466	-307.422	-396.6593	96	10	5	12082	0	18	15
B-D	-2.4908	-56.5258	-196.801	-255.8177	67	1	0	7018	4	18	24
C-D	-22.8104	5.2818	-27.8264	-45.355	20	2	1	1289	0	5	6

Interface residues

• A-B: ALA37A, ALA37B, GLU36A, GLU36B, GLY39A, GLY39B, LYS38A, LYS38B, SER35A, SER35B, THR33A, THR33B, THR40A, THR40B, THR42A, THR42B, THR44A, THR44B, TRP34A, TRP34B
• A-C: ALA37A, ALA37C, ARG11A, ARG11C, ARG15A, ARG15C, ARG7A, ARG7C, ASN12A, ASN12C, ASN138A, ASN138C, ASP59A, ASP59C, GLN10A, GLN10C, GLU124A, GLU124C, GLY14A, GLY14C, GLY16A, GLY16C, GLY39A, GLY39C, HIS41A, HIS41C, ILE140A, ILE140C, ILE20A, ILE20C, LEU6A, LEU6C, LYS126A, LYS126C, LYS38A, LYS38C, LYS60A, LYS60C, MET57A, MET57C, PHE141A, PHE141C, PHE17A, PHE17C, PHE18A, PHE18C, PHE9A, PHE9C, PRO13A, PRO13C, SER142A, SER142C, SER19A, SER19C, SER58A, SER58C, THR128A, THR128C, THR40A, THR40C, VAL139A, VAL139C, VAL21A, VAL21C, VAL8A, VAL8C
• A-D: ALA29A, ALA29D, ALA89A, ALA89D, ARG55A, ARG55D, ASN30A, ASN30D, ASN93A, ASN93D, ASN98D, GLN95A, GLN95D, GLU22A, GLU22D, GLU36A, GLU36D, GLU86A, GLU86D, GLU87A, GLU87D, GLY31A, GLY31D, GLY32A, GLY32D, GLY46A, GLY46D, GLY52A, GLY52D, GLY61A, GLY61D, HIS27A, HIS27D, HIS41A, HIS41D, ILE20A, ILE20D, ILE92A, ILE92D, LEU43A, LEU43D, LEU54A, LEU54D, LEU63A, LEU63D, LEU90A, LEU90D, LYS23A, LYS23D, LYS84A, LYS84D, MET45A, MET45D, MET57A, MET57D, PHE26A, PHE26D, PHE56A, PHE56D, PRO85A, PRO85D, PRO94A, PRO94D, SER19A, SER19D, SER35A, SER35D, SER51A, SER51D, THR24A, THR24D, THR33A, THR33D, THR42A, THR42D, THR44A, THR44D, THR50A, THR50D, THR88A, THR88D, TRP34A, TRP34D, TYR28A, TYR28D, TYR96A, TYR96D, TYR97A, TYR97D, VAL21A, VAL21D, VAL25A, VAL25D, VAL53A, VAL53D, VAL91A, VAL91D
• B-C: ALA29B, ALA29C, ALA89B, ALA89C, ARG55B, ARG55C, ASN30B, ASN30C, ASN93B, ASN93C, ASN98C, GLN95B, GLN95C, GLU22B, GLU22C, GLU36B, GLU36C, GLU86B, GLU86C, GLU87B, GLU87C, GLY31B, GLY31C, GLY32B, GLY32C, GLY46B, GLY46C, GLY52B, GLY52C, GLY61B, HIS27B, HIS27C, HIS41B, HIS41C, ILE20B, ILE20C, ILE92B, ILE92C, LEU43B, LEU43C, LEU54B, LEU54C, LEU63B, LEU63C, LEU90B, LEU90C, LYS23B, LYS23C, LYS84B, LYS84C, MET45B, MET45C, MET57B, MET57C, PHE26B, PHE26C, PHE56B, PHE56C, PRO85B, PRO85C, PRO94B, PRO94C, SER19B, SER19C, SER35B, SER35C, SER51B, SER51C, THR24B, THR24C, THR33B, THR33C, THR42B, THR42C, THR44B, THR44C, THR50B, THR50C, THR88B, THR88C, TRP34B, TRP34C, TYR28B, TYR28C, TYR96B, TYR96C, TYR97B, TYR97C, VAL21B, VAL21C, VAL25B, VAL25C, VAL53B, VAL53C, VAL91B, VAL91C
• B-D: ALA37B, ALA37D, ARG11B, ARG11D, ARG15B, ARG15D, ARG7B, ARG7D, ASN12B, ASN12D, ASN138B, ASN138D, ASP59B, ASP59D, GLN10B, GLN10D, GLU124B, GLU124D, GLU136D, GLY14B, GLY14D, GLY16B, GLY16D, GLY39B, GLY39D, HIS41B, HIS41D, ILE140B, ILE140D, ILE20B, ILE20D, LEU6B, LEU6D, LYS126B, LYS126D, LYS38B, LYS38D, LYS60B, LYS60D, MET57B, MET57D, PHE141B, PHE141D, PHE17B, PHE17D, PHE18B, PHE18D, PHE9B, PHE9D, PRO13B, PRO13D, SER142B, SER142D, SER19B, SER19D, SER58B, SER58D, THR128B, THR128D, THR40B, THR40D, VAL139B, VAL139D, VAL21B, VAL21D, VAL8B, VAL8D
• C-D: ALA37C, ALA37D, GLU36C, GLU36D, GLY39C, GLY39D, LYS38C, LYS38D, SER35C, SER35D, THR33C, THR33D, THR40C, THR40D, THR42C, THR42D, THR44C, THR44D, TRP34C, TRP34D