TABLE 6.
Interactions of N-terminal residues 1–11 present in the CoA (top, chains A: B) and unliganded (bottom, chains C:D) chains of SpPaaI structure
| H-bonds | Chain | Distance | Chain |
|---|---|---|---|
| Å | |||
| CoA bound | |||
| 1 | A: Phe4 (O) | 3.61 | B: Tyr15 (OH) |
| 2 | A: Phe4 (O) | 3.41 | B: Ile17 (CD1) |
| 3 | A: Phe4 (CE2) | 3.41 | B: Leu57 (CD2) |
| 4 | A: His5 (CA) | 3.54 | B: Tyr15 (OH) |
| 5 | A: His5 (ND1) | 3.73 | B: Tyr15 (OH) |
| 6 | A: Phe6 (CE2) | 3.57 | B: Tyr15 (CE1) |
| 7 | A: Phe6 (CZ) | 3.65 | B: Phe12 (CD1) |
| 8 | A: Ala8 (CB) | 3.52 | B: Ala11 (O) |
| 9 | A: Ala8 (CB) | 3.59 | B: Phe12 (O) |
| 10 | A: Ile9 (CD1) | 3.69 | A: His43 (NE2) |
| 11 | A: Ser10 (CB) | 3.79 | A: Ser34 (OG) |
| 12 | A: Ala11 (CB) | 3.63 | A: Thr49 (CG2) |
| Unbound enzyme | |||
| 1 | C: Asp3 (OD1) | 3.11 | D: Tyr39 (OH) |
| 2 | C: Asp3 (CB) | 3.40 | D: Tyr38 (CD2) |
| 3 | C: Phe4 (CE1) | 3.76 | D: Gln53 (NE2) |
| 4 | C: Phe4 (CZ) | 3.65 | D: Leu57 (CD1) |
| 5 | C: Phe6 (CE2) | 3.77 | D: Asp7 (OD1) |
| 6 | C: Asp7 (OD2) | 3.58 | D: Tyr38 (N) |
| 7 | C: Asp7 (OD2) | 3.40 | D: Asn37 (CB) |
| 8 | C: Ala11 (CB) | 3.51 | D: Thr49 (CG2) |