Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : XMQ

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 59


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 CAP C CAP N N N 0 -7.04 1.649 0.008
2 CAN C CAN N N N 0 -8.163 1.144 0.917
3 NBA N NBA N N N 0 -8.43 -0.271 0.621
4 CAC C CAC N N N 0 -8.943 -0.435 -0.746
5 CAO C CAO N N N 0 -7.227 -1.087 0.833
6 CAQ C CAQ N N N 0 -6.104 -0.581 -0.076
7 NBB N NBB N N N 0 -5.837 0.833 0.22
8 CAM C CAM N N N 0 -4.712 1.335 -0.58
9 CAK C CAK N N N 0 -3.425 0.628 -0.152
10 CAL C CAL N N N 0 -2.254 1.151 -0.986
11 CAU C CAU N Y N 0 -0.986 0.454 -0.564
12 CAJ C CAJ N Y N 0 -0.603 -0.72 -1.185
13 CAW C CAW N Y N 0 0.56 -1.361 -0.798
14 CLH CL CLH N N N 0 1.041 -2.835 -1.578
15 CAI C CAI N Y N 0 -0.203 0.992 0.44
16 CAV C CAV N Y N 0 0.961 0.352 0.828
17 CLG CL CLG N N N 0 1.944 1.028 2.089
18 CAZ C CAZ N Y N 0 1.341 -0.826 0.211
19 SBD S SBD N N N 0 2.823 -1.641 0.705
20 OAE O OAE N N N 0 3.171 -1.106 1.975
21 OAF O OAF N N N 0 2.612 -3.028 0.478
22 NAS N NAS N N N 0 4.015 -1.171 -0.344
23 CAY C CAY N Y N 0 4.457 0.166 -0.353
24 CAX C CAX N Y N 0 4.232 1.075 -1.336
25 CAB C CAB N N N 0 3.467 0.836 -2.611
26 NBC N NBC N Y N 0 4.823 2.24 -0.959
27 CAD C CAD N N N 0 4.83 3.49 -1.723
28 NAR N NAR N Y N 0 5.425 2.033 0.289
29 CAT C CAT N Y N 0 5.202 0.796 0.654
30 CAA C CAA N N N 0 5.669 0.157 1.936
31 HAP1 H HAP1 N N N 0 -7.353 1.572 -1.034
32 HAP2 H HAP2 N N N 0 -6.821 2.69 0.246
33 HAN1 H HAN1 N N N 0 -7.861 1.246 1.959
34 HAN2 H HAN2 N N N 0 -9.066 1.729 0.74
35 HAC1 H HAC1 N N N 0 -8.206 -0.062 -1.458
36 HAC2 H HAC2 N N N 0 -9.132 -1.491 -0.939
37 HAC3 H HAC3 N N N 0 -9.871 0.127 -0.856
38 HAO1 H HAO1 N N N 0 -6.914 -1.01 1.874
39 HAO2 H HAO2 N N N 0 -7.446 -2.128 0.595
40 HAQ1 H HAQ1 N N N 0 -5.202 -1.167 0.101
41 HAQ2 H HAQ2 N N N 0 -6.406 -0.684 -1.118
42 HAM1 H HAM1 N N N 0 -4.901 1.138 -1.636
43 HAM2 H HAM2 N N N 0 -4.606 2.409 -0.424
44 HAK1 H HAK1 N N N 0 -3.236 0.825 0.903
45 HAK2 H HAK2 N N N 0 -3.531 -0.446 -0.308
46 HAL1 H HAL1 N N N 0 -2.443 0.954 -2.041
47 HAL2 H HAL2 N N N 0 -2.147 2.224 -0.83
48 HAJ H HAJ N N N 0 -1.213 -1.138 -1.973
49 HAI H HAI N N N 0 -0.5 1.911 0.922
50 HAS H HAS N N N 0 4.408 -1.816 -0.952
51 HAB1 H HAB1 N N N 0 2.414 1.069 -2.452
52 HAD2 H HAD2 N N N 0 5.741 4.046 -1.503
53 HAB2 H HAB2 N N N 0 3.865 1.476 -3.399
54 HAB3 H HAB3 N N N 0 3.567 -0.208 -2.906
55 HAD1 H HAD1 N N N 0 3.963 4.09 -1.445
56 HAD3 H HAD3 N N N 0 4.79 3.265 -2.789
57 HAA1 H HAA1 N N N 0 6.696 -0.187 1.818
58 HAA2 H HAA2 N N N 0 5.621 0.887 2.744
59 HAA3 H HAA3 N N N 0 5.027 -0.691 2.174