TABLE 2.
Interacting residues in the RfCohE-XDoc complex and predicted interacting residues in the R. flavefaciens strain 17 CohE-XDoc putative complex interface
Type-IIIe conserved cohesin/dockerin residues are shown in bold. Backbone hydrogen-bonded interacting residues are shown in italics.
| Cohesin location | CohEFD1 residue | XDocFD1 residue | CohE17 residue | Predicted XDoc17 residue |
|---|---|---|---|---|
| Hydrophobic interactions | ||||
| Strand 5 | Leu-101 | Ala-203, Ala-133, Leu-207, Leu-137 | Leu-91 | Ala-199, Ala-130, Leu-203, Leu-134 |
| Strand 6 | Phe-112a | Tyr-210,a Val-215 | Phe-103a | Tyr-206,a Asn-211 |
| Strand 6 | Ala-114 | Tyr-210, Leu-207 | Ala-105 | Tyr-206 |
| Strand 8 | Leu-159 | Tyr-210 | Leu-150 | Tyr-206 |
| Hydrogen-bonding | ||||
| N′ loop | NH 1/2 Arg-15 | Oδ1/2 Asp-216 | Gln-8 | Ser-212 |
| Strand 3 | Oγ1 Thr-68 | Oγ1 Thr-134 | Ala-58 | Ser-131 |
| Strand 3 | Nϵ2 His-72 | O Ser-214 | His-62 | Met-210 |
| Strand 5 | Oϵ1 Glu-105, Oϵ2 Glu-105 | Oγ1 Thr-211, Nζ Lys-212 | Glu-95 | Ala-207, Lys-208 |
| Strand 5 | Oδ1 Asn-107 | N Asp-216 | Asp-97 | Ser-212 |
| Flap 8 | Nζ Lys-156 | O Ser-213 | Asn-147 | Arg-208 |
| Flap 8 | O Gly-157 | OH Tyr-210 | Glu-148 | Tyr-206 |
| Loop 8-helix 9 | Nδ2 Asn-163 | Oγ1 Thr-138 | Val-154 | Ala-135 |
| Loop 8-helix 9 | Oδ2 Asp-165 | NH 1 Arg-131 | Lys-156 | Val-128 |
| Ionic interactions | ||||
| N′ loop | Arg-15b | Asp-216b | Gln-8 | Ser-212 |
| Strand 5 | Glu-105b | Lys-212b | Glu-95 | Lys-208 |
| Flap 8 | Asp-153 | Lys-219 | Arg-144 | Asp-215 |
| Loop 8-helix 9 | Asp-165b | Arg-131b | Lys-156 | Val-128 |
a The residue is also involved with aromatic interaction.
b The residue is also involved with hydrogen-bonding interaction(s).