TABLE 4.
KL1 residues that are in contact with α2-3-sialyllactose for best-scoring 5 clusters
| KL1 residues that bind α2-3-sialyllactose in model complex |
Consurf value | KLrP residue | ||||
|---|---|---|---|---|---|---|
| Orientation 1 | Orientation 2 | Orientation 3 | Orientation 4 | Orientation 5 | ||
| Trp194 | Trp194 | Trp194 | Trp194 | Trp194 | 8 | Phe121 |
| Asn239 | Asn239 | Asn239 | Asn239 | Asn239 | 9 | Glu165 |
| Tyr241 | Tyr241 | Tyr241 | Tyr241 | 1 | ||
| Val242 | Val242 | Val242 | Val242 | Val242 | 4 | |
| His246 | His246 | His246 | 1 | |||
| Thr250 | 1 | |||||
| Arg252 | Arg252 | Arg252 | 1 | |||
| Ser299 | Ser299 | Ser299 | Ser299 | Ser299 | 5 | |
| His301 | His301 | 5 | ||||
| Val323 | Val323 | Val323 | Val323 | Val323 | 1 | |
| Gly372 | Gly372 | Gly372 | Gly372 | Gly372 | 8 | Tyr309 |
| Gln378 | Gln378 | Gln378 | 1 | |||
| Leu389 | Leu389 | Leu389 | Leu389 | 1 | ||
| Glu390 | Glu390 | Glu390 | Glu390 | Glu390 | 7 | |
| Glu414 | Glu414 | Glu414 | Glu414 | Glu414 | 9 | Glu373 |
| Gly416 | Gly416 | Gly416 | Gly416 | Gly416 | 9 | |
| Trp458 | Trp458 | Trp458 | Trp458 | Trp458 | 8 | Trp417 |
| Glu465 | Glu465 | Glu465 | Glu465 | Glu465 | 9 | Glu424 |
| Trp466 | 9 | Trp425 | ||||
| Arg468 | Arg468 | Arg468 | Arg468 | Arg468 | 1 | |
| Arg474 | Arg474 | Arg474 | Arg474 | Arg474 | 9 | Phe433 |
Consurf values calculated by the Consurf server (46). KLrP residues were found to bind glucose in the 2e9l X-ray structure.