Three-dimensional structure of the PGAM5 C12S mutant TMD
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | ALA | HA | H | 4.167 | ||
2 | 1 | 1 | ALA | HB1 | H | 1.369 | ||
3 | 1 | 1 | ALA | HB2 | H | 1.369 | ||
4 | 1 | 1 | ALA | HB3 | H | 1.369 | ||
5 | 1 | 1 | ALA | CA | C | 52.8 | ||
6 | 1 | 1 | ALA | CB | C | 16.335 | ||
7 | 1 | 1 | ALA | N | N | 128.937 | ||
8 | 1 | 2 | PHE | H | H | 7.388 | ||
9 | 1 | 2 | PHE | HA | H | 4.442 | ||
10 | 1 | 2 | PHE | HB2 | H | 3.128 | ||
11 | 1 | 2 | PHE | HB3 | H | 3.18 | ||
12 | 1 | 2 | PHE | HD1 | H | 7.177 | ||
13 | 1 | 2 | PHE | HD2 | H | 7.177 | ||
14 | 1 | 2 | PHE | HE1 | H | 7.176 | ||
15 | 1 | 2 | PHE | HE2 | H | 7.176 | ||
16 | 1 | 2 | PHE | CA | C | 57.557 | ||
17 | 1 | 2 | PHE | CB | C | 37.043 | ||
18 | 1 | 2 | PHE | N | N | 114.359 | ||
19 | 1 | 3 | ARG | H | H | 7.469 | ||
20 | 1 | 3 | ARG | HA | H | 3.965 | ||
21 | 1 | 3 | ARG | HB2 | H | 1.811 | ||
22 | 1 | 3 | ARG | HB3 | H | 1.807 | ||
23 | 1 | 3 | ARG | HG2 | H | 1.558 | ||
24 | 1 | 3 | ARG | HG3 | H | 1.591 | ||
25 | 1 | 3 | ARG | HD2 | H | 3.179 | ||
26 | 1 | 3 | ARG | HD3 | H | 3.177 | ||
27 | 1 | 3 | ARG | CA | C | 57.783 | ||
28 | 1 | 3 | ARG | CB | C | 28.325 | ||
29 | 1 | 3 | ARG | CG | C | 25.999 | ||
30 | 1 | 3 | ARG | CD | C | 41.704 | ||
31 | 1 | 3 | ARG | N | N | 118.876 | ||
32 | 1 | 4 | GLN | H | H | 7.893 | ||
33 | 1 | 4 | GLN | HA | H | 4.117 | ||
34 | 1 | 4 | GLN | HB2 | H | 2.152 | ||
35 | 1 | 4 | GLN | HB3 | H | 2.152 | ||
36 | 1 | 4 | GLN | HG2 | H | 2.382 | ||
37 | 1 | 4 | GLN | HG3 | H | 2.382 | ||
38 | 1 | 4 | GLN | CA | C | 57.554 | ||
39 | 1 | 4 | GLN | CB | C | 27.029 | ||
40 | 1 | 4 | GLN | CG | C | 32.733 | ||
41 | 1 | 4 | GLN | N | N | 117.7 | ||
42 | 1 | 5 | ALA | H | H | 7.77 | ||
43 | 1 | 5 | ALA | HA | H | 4.106 | ||
44 | 1 | 5 | ALA | HB1 | H | 1.513 | ||
45 | 1 | 5 | ALA | HB2 | H | 1.513 | ||
46 | 1 | 5 | ALA | HB3 | H | 1.513 | ||
47 | 1 | 5 | ALA | CA | C | 53.814 | ||
48 | 1 | 5 | ALA | CB | C | 16.367 | ||
49 | 1 | 5 | ALA | N | N | 121.548 | ||
50 | 1 | 6 | LEU | H | H | 7.891 | ||
51 | 1 | 6 | LEU | HA | H | 4.123 | ||
52 | 1 | 6 | LEU | HB2 | H | 1.784 | ||
53 | 1 | 6 | LEU | HB3 | H | 1.642 | ||
54 | 1 | 6 | LEU | CA | C | 56.606 | ||
55 | 1 | 6 | LEU | CB | C | 40.48 | ||
56 | 1 | 6 | LEU | N | N | 117.653 | ||
57 | 1 | 7 | GLN | H | H | 7.848 | ||
58 | 1 | 7 | GLN | HA | H | 4.023 | ||
59 | 1 | 7 | GLN | HB2 | H | 2.165 | ||
60 | 1 | 7 | GLN | HB3 | H | 2.228 | ||
61 | 1 | 7 | GLN | HG2 | H | 2.36 | ||
62 | 1 | 7 | GLN | HG3 | H | 2.502 | ||
63 | 1 | 7 | GLN | CA | C | 57.7 | ||
64 | 1 | 7 | GLN | CB | C | 27.039 | ||
65 | 1 | 7 | GLN | CG | C | 32.618 | ||
66 | 1 | 7 | GLN | N | N | 117.304 | ||
67 | 1 | 8 | LEU | H | H | 8.107 | ||
68 | 1 | 8 | LEU | HA | H | 4.115 | ||
69 | 1 | 8 | LEU | HB2 | H | 1.914 | ||
70 | 1 | 8 | LEU | HB3 | H | 1.644 | ||
71 | 1 | 8 | LEU | HG | H | 1.773 | ||
72 | 1 | 8 | LEU | CA | C | 56.773 | ||
73 | 1 | 8 | LEU | CB | C | 40.376 | ||
74 | 1 | 8 | LEU | CG | C | 25.711 | ||
75 | 1 | 8 | LEU | N | N | 120.811 | ||
76 | 1 | 9 | ALA | H | H | 8.291 | ||
77 | 1 | 9 | ALA | HA | H | 4.13 | ||
78 | 1 | 9 | ALA | HB1 | H | 1.54 | ||
79 | 1 | 9 | ALA | HB2 | H | 1.54 | ||
80 | 1 | 9 | ALA | HB3 | H | 1.54 | ||
81 | 1 | 9 | ALA | CA | C | 53.812 | ||
82 | 1 | 9 | ALA | CB | C | 16.116 | ||
83 | 1 | 9 | ALA | N | N | 122.983 | ||
84 | 1 | 10 | ALA | H | H | 8.517 | ||
85 | 1 | 10 | ALA | HA | H | 4.141 | ||
86 | 1 | 10 | ALA | HB1 | H | 1.519 | ||
87 | 1 | 10 | ALA | HB2 | H | 1.519 | ||
88 | 1 | 10 | ALA | HB3 | H | 1.519 | ||
89 | 1 | 10 | ALA | CA | C | 53.802 | ||
90 | 1 | 10 | ALA | CB | C | 16.359 | ||
91 | 1 | 10 | ALA | N | N | 119.812 | ||
92 | 1 | 11 | SER | H | H | 7.979 | ||
93 | 1 | 11 | SER | HA | H | 4.27 | ||
94 | 1 | 11 | SER | HB2 | H | 4.062 | ||
95 | 1 | 11 | SER | HB3 | H | 4.062 | ||
96 | 1 | 11 | SER | CA | C | 59.799 | ||
97 | 1 | 11 | SER | CB | C | 62.059 | ||
98 | 1 | 11 | SER | N | N | 112.297 | ||
99 | 1 | 12 | GLY | H | H | 8.106 | ||
100 | 1 | 12 | GLY | HA2 | H | 3.953 | ||
101 | 1 | 12 | GLY | HA3 | H | 3.952 | ||
102 | 1 | 12 | GLY | CA | C | 44.808 | ||
103 | 1 | 12 | GLY | N | N | 105.202 | ||
104 | 1 | 13 | LEU | H | H | 7.983 | ||
105 | 1 | 13 | LEU | HA | H | 4.276 | ||
106 | 1 | 13 | LEU | HB2 | H | 1.632 | ||
107 | 1 | 13 | LEU | HB3 | H | 1.824 | ||
108 | 1 | 13 | LEU | HG | H | 1.734 | ||
109 | 1 | 13 | LEU | CA | C | 55.622 | ||
110 | 1 | 13 | LEU | CB | C | 40.732 | ||
111 | 1 | 13 | LEU | CG | C | 25.656 | ||
112 | 1 | 13 | LEU | N | N | 121.919 | ||
113 | 1 | 14 | ALA | H | H | 8.103 | ||
114 | 1 | 14 | ALA | HA | H | 4.221 | ||
115 | 1 | 14 | ALA | HB1 | H | 1.476 | ||
116 | 1 | 14 | ALA | HB2 | H | 1.476 | ||
117 | 1 | 14 | ALA | HB3 | H | 1.476 | ||
118 | 1 | 14 | ALA | CA | C | 52.765 | ||
119 | 1 | 14 | ALA | CB | C | 16.528 | ||
120 | 1 | 14 | ALA | N | N | 121.676 | ||
121 | 1 | 15 | GLY | H | H | 7.98 | ||
122 | 1 | 15 | GLY | HA2 | H | 3.993 | ||
123 | 1 | 15 | GLY | HA3 | H | 3.993 | ||
124 | 1 | 15 | GLY | CA | C | 44.813 | ||
125 | 1 | 15 | GLY | N | N | 109.473 | ||
126 | 1 | 16 | GLY | H | H | 8.121 | ||
127 | 1 | 16 | GLY | HA2 | H | 3.956 | ||
128 | 1 | 16 | GLY | HA3 | H | 4.004 | ||
129 | 1 | 16 | GLY | CA | C | 44.809 | ||
130 | 1 | 16 | GLY | N | N | 108.037 | ||
131 | 1 | 17 | SER | H | H | 7.981 | ||
132 | 1 | 17 | SER | HA | H | 4.28 | ||
133 | 1 | 17 | SER | HB2 | H | 3.958 | ||
134 | 1 | 17 | SER | HB3 | H | 4.016 | ||
135 | 1 | 17 | SER | CA | C | 59.568 | ||
136 | 1 | 17 | SER | CB | C | 61.853 | ||
137 | 1 | 17 | SER | N | N | 115.116 | ||
138 | 1 | 18 | ALA | H | H | 7.909 | ||
139 | 1 | 18 | ALA | HA | H | 4.101 | ||
140 | 1 | 18 | ALA | HB1 | H | 1.472 | ||
141 | 1 | 18 | ALA | HB2 | H | 1.472 | ||
142 | 1 | 18 | ALA | HB3 | H | 1.472 | ||
143 | 1 | 18 | ALA | CA | C | 53.71 | ||
144 | 1 | 18 | ALA | CB | C | 16.272 | ||
145 | 1 | 18 | ALA | N | N | 123.995 | ||
146 | 1 | 19 | ALA | H | H | 7.681 | ||
147 | 1 | 19 | ALA | HA | H | 4.143 | ||
148 | 1 | 19 | ALA | HB1 | H | 1.527 | ||
149 | 1 | 19 | ALA | HB2 | H | 1.527 | ||
150 | 1 | 19 | ALA | HB3 | H | 1.527 | ||
151 | 1 | 19 | ALA | CA | C | 53.384 | ||
152 | 1 | 19 | ALA | CB | C | 16.115 | ||
153 | 1 | 19 | ALA | N | N | 118.301 | ||
154 | 1 | 20 | VAL | H | H | 7.678 | ||
155 | 1 | 20 | VAL | HA | H | 3.694 | ||
156 | 1 | 20 | VAL | HB | H | 2.229 | ||
157 | 1 | 20 | VAL | HG11 | H | 1.073 | ||
158 | 1 | 20 | VAL | HG12 | H | 1.073 | ||
159 | 1 | 20 | VAL | HG13 | H | 1.073 | ||
160 | 1 | 20 | VAL | HG21 | H | 0.96 | ||
161 | 1 | 20 | VAL | HG22 | H | 0.96 | ||
162 | 1 | 20 | VAL | HG23 | H | 0.96 | ||
163 | 1 | 20 | VAL | CA | C | 64.9 | ||
164 | 1 | 20 | VAL | CB | C | 30.556 | ||
165 | 1 | 20 | VAL | CG1 | C | 20.133 | ||
166 | 1 | 20 | VAL | CG2 | C | 19.068 | ||
167 | 1 | 20 | VAL | N | N | 118.301 | ||
168 | 1 | 21 | LEU | H | H | 7.773 | ||
169 | 1 | 21 | LEU | HA | H | 4.11 | ||
170 | 1 | 21 | LEU | HB2 | H | 1.631 | ||
171 | 1 | 21 | LEU | HB3 | H | 1.687 | ||
172 | 1 | 21 | LEU | CA | C | 56.773 | ||
173 | 1 | 21 | LEU | CB | C | 40.395 | ||
174 | 1 | 21 | LEU | N | N | 120.58 | ||
175 | 1 | 22 | PHE | H | H | 8.397 | ||
176 | 1 | 22 | PHE | HA | H | 4.344 | ||
177 | 1 | 22 | PHE | HB3 | H | 3.2 | ||
178 | 1 | 22 | PHE | HD1 | H | 7.21 | ||
179 | 1 | 22 | PHE | HD2 | H | 7.21 | ||
180 | 1 | 22 | PHE | HE1 | H | 7.21 | ||
181 | 1 | 22 | PHE | HE2 | H | 7.21 | ||
182 | 1 | 22 | PHE | CA | C | 59.171 | ||
183 | 1 | 22 | PHE | CB | C | 37.307 | ||
184 | 1 | 22 | PHE | N | N | 116.608 | ||
185 | 1 | 23 | SER | H | H | 7.988 | ||
186 | 1 | 23 | SER | HA | H | 4.186 | ||
187 | 1 | 23 | SER | HB2 | H | 4.027 | ||
188 | 1 | 23 | SER | HB3 | H | 4.122 | ||
189 | 1 | 23 | SER | CA | C | 60.4 | ||
190 | 1 | 23 | SER | CB | C | 61.82 | ||
191 | 1 | 23 | SER | N | N | 113.863 | ||
192 | 1 | 24 | ALA | H | H | 7.991 | ||
193 | 1 | 24 | ALA | HA | H | 4.174 | ||
194 | 1 | 24 | ALA | HB1 | H | 1.531 | ||
195 | 1 | 24 | ALA | HB2 | H | 1.531 | ||
196 | 1 | 24 | ALA | HB3 | H | 1.531 | ||
197 | 1 | 24 | ALA | CA | C | 53.41 | ||
198 | 1 | 24 | ALA | CB | C | 16.631 | ||
199 | 1 | 24 | ALA | N | N | 123.856 | ||
200 | 1 | 25 | VAL | H | H | 7.865 | ||
201 | 1 | 25 | VAL | HA | H | 3.83 | ||
202 | 1 | 25 | VAL | HB | H | 2.164 | ||
203 | 1 | 25 | VAL | HG11 | H | 0.937 | ||
204 | 1 | 25 | VAL | HG12 | H | 0.937 | ||
205 | 1 | 25 | VAL | HG13 | H | 0.937 | ||
206 | 1 | 25 | VAL | HG21 | H | 1.037 | ||
207 | 1 | 25 | VAL | HG22 | H | 1.037 | ||
208 | 1 | 25 | VAL | HG23 | H | 1.037 | ||
209 | 1 | 25 | VAL | CA | C | 63.401 | ||
210 | 1 | 25 | VAL | CB | C | 30.834 | ||
211 | 1 | 25 | VAL | CG1 | C | 19.227 | ||
212 | 1 | 25 | VAL | CG2 | C | 19.63 | ||
213 | 1 | 25 | VAL | N | N | 115.912 | ||
214 | 1 | 26 | ALA | H | H | 7.922 | ||
215 | 1 | 26 | ALA | HA | H | 4.117 | ||
216 | 1 | 26 | ALA | HB1 | H | 1.327 | ||
217 | 1 | 26 | ALA | HB2 | H | 1.327 | ||
218 | 1 | 26 | ALA | HB3 | H | 1.327 | ||
219 | 1 | 26 | ALA | CA | C | 52.864 | ||
220 | 1 | 26 | ALA | CB | C | 17.144 | ||
221 | 1 | 26 | ALA | N | N | 121.849 | ||
222 | 1 | 27 | VAL | H | H | 7.621 | ||
223 | 1 | 27 | VAL | HA | H | 3.986 | ||
224 | 1 | 27 | VAL | HB | H | 2.203 | ||
225 | 1 | 27 | VAL | HG11 | H | 1.028 | ||
226 | 1 | 27 | VAL | HG12 | H | 1.028 | ||
227 | 1 | 27 | VAL | HG13 | H | 1.028 | ||
228 | 1 | 27 | VAL | HG21 | H | 0.965 | ||
229 | 1 | 27 | VAL | HG22 | H | 0.965 | ||
230 | 1 | 27 | VAL | HG23 | H | 0.965 | ||
231 | 1 | 27 | VAL | CA | C | 62.45 | ||
232 | 1 | 27 | VAL | CB | C | 30.86 | ||
233 | 1 | 27 | VAL | CG1 | C | 19.276 | ||
234 | 1 | 27 | VAL | CG2 | C | 19.068 | ||
235 | 1 | 27 | VAL | N | N | 114.666 | ||
236 | 1 | 28 | GLY | H | H | 7.958 | ||
237 | 1 | 28 | GLY | HA2 | H | 3.92 | ||
238 | 1 | 28 | GLY | HA3 | H | 3.92 | ||
239 | 1 | 28 | GLY | CA | C | 44.045 | ||
240 | 1 | 28 | GLY | N | N | 109 | ||
241 | 1 | 29 | LYS | H | H | 7.65 | ||
242 | 1 | 29 | LYS | HA | H | 4.626 | ||
243 | 1 | 29 | LYS | HB2 | H | 1.843 | ||
244 | 1 | 29 | LYS | HB3 | H | 1.843 | ||
245 | 1 | 29 | LYS | HG2 | H | 1.49 | ||
246 | 1 | 29 | LYS | HG3 | H | 1.49 | ||
247 | 1 | 29 | LYS | HD2 | H | 1.706 | ||
248 | 1 | 29 | LYS | HD3 | H | 1.706 | ||
249 | 1 | 29 | LYS | HE2 | H | 3.007 | ||
250 | 1 | 29 | LYS | HE3 | H | 3.007 | ||
251 | 1 | 29 | LYS | CA | C | 53.17 | ||
252 | 1 | 29 | LYS | CB | C | 31.004 | ||
253 | 1 | 29 | LYS | CG | C | 22.955 | ||
254 | 1 | 29 | LYS | CD | C | 27.479 | ||
255 | 1 | 29 | LYS | CE | C | 40.978 | ||
256 | 1 | 29 | LYS | N | N | 120.209 | ||
257 | 1 | 30 | PRO | HA | H | 4.405 | ||
258 | 1 | 30 | PRO | HB2 | H | 1.903 | ||
259 | 1 | 30 | PRO | HB3 | H | 2.278 | ||
260 | 1 | 30 | PRO | HG2 | H | 1.998 | ||
261 | 1 | 30 | PRO | HG3 | H | 2.068 | ||
262 | 1 | 30 | PRO | HD2 | H | 3.819 | ||
263 | 1 | 30 | PRO | HD3 | H | 3.612 | ||
264 | 1 | 30 | PRO | CA | C | 62.247 | ||
265 | 1 | 30 | PRO | CB | C | 30.323 | ||
266 | 1 | 30 | PRO | CG | C | 25.831 | ||
267 | 1 | 30 | PRO | CD | C | 49.088 | ||
268 | 1 | 31 | ARG | H | H | 7.903 | ||
269 | 1 | 31 | ARG | HA | H | 4.396 | ||
270 | 1 | 31 | ARG | HB2 | H | 1.784 | ||
271 | 1 | 31 | ARG | HB3 | H | 1.916 | ||
272 | 1 | 31 | ARG | HG2 | H | 1.685 | ||
273 | 1 | 31 | ARG | HG3 | H | 1.685 | ||
274 | 1 | 31 | ARG | HD2 | H | 3.212 | ||
275 | 1 | 31 | ARG | HD3 | H | 3.204 | ||
276 | 1 | 31 | ARG | CA | C | 54.321 | ||
277 | 1 | 31 | ARG | CB | C | 29.719 | ||
278 | 1 | 31 | ARG | CG | C | 25.613 | ||
279 | 1 | 31 | ARG | CD | C | 41.913 | ||
280 | 1 | 31 | ARG | N | N | 119.339 | ||
281 | 1 | 32 | ALA | H | H | 7.939 | ||
282 | 1 | 32 | ALA | HA | H | 4.341 | ||
283 | 1 | 32 | ALA | HB1 | H | 1.402 | ||
284 | 1 | 32 | ALA | HB2 | H | 1.402 | ||
285 | 1 | 32 | ALA | HB3 | H | 1.402 | ||
286 | 1 | 32 | ALA | CA | C | 51.241 | ||
287 | 1 | 32 | ALA | CB | C | 17.368 | ||
288 | 1 | 32 | ALA | N | N | 123.995 | ||
289 | 1 | 33 | GLY | H | H | 8.066 | ||
290 | 1 | 33 | GLY | HA2 | H | 3.879 | ||
291 | 1 | 33 | GLY | HA3 | H | 4.027 | ||
292 | 1 | 33 | GLY | CA | C | 43.855 | ||
293 | 1 | 33 | GLY | N | N | 106.732 | ||
294 | 1 | 34 | GLY | H | H | 8.053 | ||
295 | 1 | 34 | GLY | HA2 | H | 3.939 | ||
296 | 1 | 34 | GLY | HA3 | H | 3.939 | ||
297 | 1 | 34 | GLY | CA | C | 44.045 | ||
298 | 1 | 34 | GLY | N | N | 107.606 | ||
299 | 1 | 35 | ASP | H | H | 8.108 | ||
300 | 1 | 35 | ASP | HA | H | 4.638 | ||
301 | 1 | 35 | ASP | HB2 | H | 2.686 | ||
302 | 1 | 35 | ASP | HB3 | H | 2.686 | ||
303 | 1 | 35 | ASP | CA | C | 52.324 | ||
304 | 1 | 35 | ASP | CB | C | 39.566 | ||
305 | 1 | 35 | ASP | N | N | 119.258 |