3A0C

crystal structure of an anti-hiv mannose-binding lectin from polygonatum cyrtonema hua

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 132
  • Norm. En. per Res.: -5.4264
• 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	-156.2022	0.0	-525.453	-681.6552	130	34	26	19196	0	4	2
A-C	-5.2533	20.4369	-118.328	-103.1444	56	24	1	5012	0	8	11
C-D	-152.6434	0.0	-563.646	-716.2894	132	38	29	19396	0	4	2

Interface residues

• A-B: ALA104A, ALA104B, ALA43A, ALA43B, ARG93A, ARG93B, ASN2A, ASN2B, ASN59A, ASN59B, ASN60A, ASN60B, ASN62A, ASN62B, ASN79A, ASN79B, ASN8A, ASN8B, ASN94A, ASN94B, ASP36A, ASP36B, ASP83A, ASP83B, ASP92A, ASP92B, GLN75A, GLN75B, GLN90A, GLN90B, GLN91A, GLN91B, GLU17A, GLU17B, GLY106A, GLY106B, GLY108A, GLY108B, GLY19A, GLY19B, GLY61A, GLY61B, GLY80A, GLY80B, GLY99A, GLY99B, HIS84A, HIS84B, ILE97A, ILE97B, LEU10A, LEU10B, LEU16A, LEU16B, LEU24A, LEU24B, LEU34A, LEU34B, LEU4A, LEU4B, LEU55A, LEU55B, LEU57A, LEU57B, LEU63A, LEU63B, LEU87A, LEU87B, LEU89A, LEU89B, LYS77A, LYS77B, LYS81A, LYS81B, PHE32A, PHE32B, PRO100A, PRO100B, PRO109A, PRO109B, PRO20A, SER107A, SER107B, SER15B, SER3A, SER3B, SER44A, SER44B, SER5A, SER5B, SER6A, SER6B, THR105A, THR105B, THR76A, THR76B, THR78A, THR78B, TRP103A, TRP103B, TRP42A, TRP42B, TRP74A, TRP74B, TYR22A, TYR22B, TYR85A, TYR85B, TYR98A, TYR98B, VAL101A, VAL101B, VAL102A, VAL102B, VAL18A, VAL18B, VAL1A, VAL1B, VAL33A, VAL33B, VAL41A, VAL41B, VAL86A, VAL86B, VAL88A, VAL88B, VAL95A, VAL95B, VAL96A, VAL96B
• A-C: ARG54A, ARG54C, ARG71A, ARG71C, ASN59C, ASN60A, ASN60C, ASN62A, ASN62C, ASN70A, ASN70C, ASN79A, ASN79C, ASN8C, ASP67A, ASP67C, ASP83C, GLN68A, GLN68C, GLN75A, GLN75C, GLU82A, GLU82C, GLY52C, GLY61C, GLY80A, GLY80C, HIS58A, HIS58C, HIS84C, ILE65A, ILE73A, LEU57C, LEU63A, LYS77A, LYS77C, PHE11C, PRO7C, SER51A, SER51C, SER5C, SER69A, SER69C, SER6C, SER9C, THR56C, THR76A, THR78A, TRP74A, TYR66A, TYR66C, TYR85C, VAL64A, VAL64C, VAL72A, VAL72C
• C-D: ALA104C, ALA104D, ALA43C, ALA43D, ARG93C, ARG93D, ASN2C, ASN2D, ASN59C, ASN59D, ASN60C, ASN60D, ASN62C, ASN62D, ASN79C, ASN79D, ASN8C, ASN8D, ASN94C, ASN94D, ASP36C, ASP36D, ASP83C, ASP83D, ASP92C, ASP92D, GLN75C, GLN75D, GLN90C, GLN90D, GLN91C, GLN91D, GLU17C, GLU17D, GLY106C, GLY106D, GLY108C, GLY108D, GLY19C, GLY19D, GLY61C, GLY61D, GLY80C, GLY80D, GLY99C, GLY99D, HIS84C, HIS84D, ILE97C, ILE97D, LEU10C, LEU10D, LEU16C, LEU16D, LEU24C, LEU24D, LEU34C, LEU34D, LEU4C, LEU4D, LEU55C, LEU55D, LEU57C, LEU57D, LEU63C, LEU63D, LEU87C, LEU87D, LEU89C, LEU89D, LYS77C, LYS77D, LYS81C, LYS81D, PHE32C, PHE32D, PRO100C, PRO100D, PRO109C, PRO109D, PRO20C, PRO20D, SER107C, SER107D, SER15C, SER15D, SER3C, SER3D, SER44C, SER44D, SER5C, SER5D, SER6C, SER6D, THR105C, THR105D, THR76C, THR76D, THR78C, THR78D, TRP103C, TRP103D, TRP42C, TRP42D, TRP74C, TRP74D, TYR22C, TYR22D, TYR85C, TYR85D, TYR98C, TYR98D, VAL101C, VAL101D, VAL102C, VAL102D, VAL18C, VAL18D, VAL1C, VAL1D, VAL33C, VAL33D, VAL41C, VAL41D, VAL86C, VAL86D, VAL88C, VAL88D, VAL95C, VAL95D, VAL96C, VAL96D