PROCARB: A Database of Known and Modelled Carbohydrate-Binding Protein Structures with Sequence-Based Prediction Tools

Table 6

Sample output from Contact Calculator exhibiting residue-carbohydrate details at atomic level.

Your uploaded file: IFV2.pdb:
TITLE: THE HC FRAGMENT OF TETANUS TOXIN COMPLEXED WITH AN ANAL 2 OF ITS GANGLIOSIDE RECEPTOR GT1B
The protein-carbohydrate contact details at ≤4 Å: (For all chains)
Distance (Å)	Residue	Position	Atom	Protein-Chain	Carbohydrate		Atom Chain
3.739	ASN	219	CB	A	GAL	O6	Z
3.753	ASN	219	CG	A	GAL	O6	Z
3.937	ASN	219	OD1	A	GAL	O6	Z
3.993	ASN	219	ND2	A	NGA	C4	Z
2.813	ASN	219	ND2	A	NGA	O4	Z
3.660	ASN	219	ND2	A	NGA	O5	Z
3.922	LEU	221	CB	A	NGA	C6	Z
3.446	LEU	221	CB	A	NGA	O6	Z
3.546	LEU	221	CDl	A	NGA	C6	Z
3.827	LEU	221	CDl	A	NGA	O6	Z
***	***	***	***	***	***	***	***
***	***	***	***	***	***	***	***
3.826	TRP	289	CDI	A	NGA	CS	Z
3.826	TRP	289	CDI	A	NGA	O6	Z
3.934	TRP	289	CH2	A	SIA	O1A	Z
3.907	TYR	290	OH	A	GAL	C6	Z
The summary of Protein-Carbohydrate contact positions of your uploaded pdb file:
Total number of contacts = 7
At Position: 219 221 222 270 271 289 290*****