Table 1.
Distances between noble gas atoms and protein atoms
| Xe atom | Occupancy (%) | B-factor (Å2) | Neighbor amino acid | Distance (Å) |
|---|---|---|---|---|
| Ngb•Xe distances | ||||
| XeI a/b | 40/15 | 20/19 | D63-Cβ | 4.84 |
| K67-Cɛ | 3.91 | |||
| XeII | 48 | 14.8 | T25-CO | 4.78 |
| F28-Cβ | 4.26 | |||
| F32-Cδ2 | 3.69 | |||
| P52-Cβ | 4.67 | |||
| S56-Oγ | 3.33 | |||
| L56-Cδ2 | 4.37 | |||
| F61-Cɛ2 | 4.21 | |||
| XeIII a/b | 45/35 | 16.2/13.2 | I72-Cγ1 | 4.40 |
| A75-Cβ | 4.54 | |||
| L113-Cδ2 | 4.35 | |||
| W133-Cζ3 | 4.55 | |||
| Y137-Cδ1 | 3.97 | |||
| V140-Cγ2 | 3.88 | |||
| XeIV | 38 | 18.7 | L27-Cδ1 | 4.41 |
| V68-Cγ1 | 4.22 | |||
| I72-Cδ | 3.56 | |||
| V109-Cg1 | 3.99 | |||
| L113-Cδ2 | 4.36 | |||
| Y137-Cɛ1 | 3.81 | |||
| Ngb•Kr distances | ||||
| Kr1 | 47 | 43.2 | L36- Cδ | 3.95 |
| I72−Cγ2 | 3.87 | |||
| W133-Cζ | 4.03 | |||
| Y137-Cδ1 | 4.21 | |||
| V140-Cγ2 | 4.08 | |||
| Kr2 | 32 | 41.6 | A29-Cα | 3.72 |
| F32-Cδ2 | 3.53 | |||
| L56-Cδ2 | 3.31 | |||
| F61-Cɛ2 | 4.06 | |||
| NgbCO•Xe distances | ||||
| XeI a/b | 40/40 | 61.1 | K67-Cγ | 4.39 |
| L72-Cδ2 | 4.19 | |||
| V71-Cγ2 | 3.88 | |||
| Y88-OH | 3.56 | |||
| XeII | 40 | 40.8 | F28-Cβ | 4.27 |
| A29-Cβ | 3.48 | |||
| F32-Cδ1 | 3.69 | |||
| S55-Oγ | 3.30 | |||
| L56-Cδ2 | 3.12 | |||
| F61-Cɛ2 | 4.15 | |||
| XeIIIa/b | 53/25 | 29.4/20.8 | I72-Cγ2 | 4.53 |
| A75-Cβ | 4.71 | |||
| L113-Cδ2 | 4.25 | |||
| W133-Cζ3 | 4.60 | |||
| L136-Cδ2 | 4.37 | |||
| Y137-Cδ1 | 4.01 | |||
| V148-Cγ2 | 3.77 | |||
| XeIV | 40 | 26.8 | L27-Cδ1 | 4.36 |
| V68-Cγ1 | 4.16 | |||
| I72-Cδ1 | 4.36 | |||
| V109-Cγ1 | 3.72 | |||
| L113-Cδ2 | 4.65 | |||
| Y137-Cɛ1 | 4.14 | |||
| hemeA, vynil pyrrole B | 4.06 | |||
Distances between noble gas atoms and protein atoms are reported for the metNgb-Xe model, metNgb-Kr model, and NgbCO-Xe model. We list only distances <5.0 Å.