Receptor
PDB id Resolution Class Description Source Keywords
4XFR 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A DOMAIN OF UNKNOWN FUNCTION (DUF1537) BORDETELLA BRONCHISEPTICA (BB3215), TARGET EFI-511620, WITHC ITRATE, DOMAIN SWAPPED DIMER, SPACE GROUP P6522 BORDETELLA BRONCHISEPTICA ENZYME FUNCTION INITIATIVE EFI STRUCTURAL GENOMICS UNKNOWFUNCTION
Ref.: ASSIGNMENT OF FUNCTION TO A DOMAIN OF UNKNOWN FUNCT DUF1537 IS A NEW KINASE FAMILY IN CATABOLIC PATHWAY ACID SUGARS. PROC.NATL.ACAD.SCI.USA V. 113 E4161 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:502;
B:502;
B:501;
A:501;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
192.124 C6 H8 O7 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XFR 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A DOMAIN OF UNKNOWN FUNCTION (DUF1537) BORDETELLA BRONCHISEPTICA (BB3215), TARGET EFI-511620, WITHC ITRATE, DOMAIN SWAPPED DIMER, SPACE GROUP P6522 BORDETELLA BRONCHISEPTICA ENZYME FUNCTION INITIATIVE EFI STRUCTURAL GENOMICS UNKNOWFUNCTION
Ref.: ASSIGNMENT OF FUNCTION TO A DOMAIN OF UNKNOWN FUNCT DUF1537 IS A NEW KINASE FAMILY IN CATABOLIC PATHWAY ACID SUGARS. PROC.NATL.ACAD.SCI.USA V. 113 E4161 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4XFR - CIT C6 H8 O7 C(C(=O)O)C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4XFR - CIT C6 H8 O7 C(C(=O)O)C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4XFR - CIT C6 H8 O7 C(C(=O)O)C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CIT; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 HCA 0.576923 0.884615
3 MAH 0.44 0.807692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XFR; Ligand: CIT; Similar sites found: 277
This union binding pocket(no: 1) in the query (biounit: 4xfr.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3A0T ADP 0.004936 0.4304 None
2 3NKS FAD 0.009552 0.44788 1.40515
3 3KJS NAP 0.01504 0.4237 1.40515
4 3KJS DQ1 0.0238 0.4237 1.40515
5 5FPE 3TR 0.01808 0.40978 1.55039
6 5UIU 8CG 0.02784 0.41569 1.63934
7 3NT6 FAD 0.03254 0.41543 1.63934
8 4HA6 FAD 0.03094 0.41073 1.63934
9 3NTA FAD 0.04143 0.40822 1.63934
10 4JNE ATP 0.02765 0.40211 1.63934
11 1ZGA SAH 0.01807 0.4261 1.68067
12 3LXD FAD 0.03499 0.40533 1.68675
13 1TI7 NAP 0.02504 0.4022 1.70455
14 2AOT SAH 0.0069 0.43074 1.71233
15 4JJF N2I 0.04058 0.40106 1.74419
16 4JJF FE9 0.03695 0.40106 1.74419
17 1D1G NDP 0.01519 0.42154 1.78571
18 5L95 AMP 0.009979 0.42414 1.79211
19 3HVJ 705 0.03016 0.42242 1.80995
20 1V8B NAD 0.0176 0.42839 1.87354
21 4EIL NDP 0.01957 0.42205 1.87354
22 3HQP FDP 0.01001 0.40677 1.87354
23 4JIQ FMN 0.02372 0.40633 1.87354
24 4JIQ 1L5 0.02372 0.40633 1.87354
25 5G3U FDA 0.0152 0.43571 1.89125
26 5G3U ITW 0.01991 0.43349 1.89125
27 5AYV NAP 0.02033 0.40269 1.94175
28 1EBF NAD 0.01947 0.41325 1.95531
29 2DFV NAD 0.005639 0.44283 2.01729
30 3ICR FAD 0.01909 0.42813 2.04082
31 3ICS FAD 0.01967 0.42746 2.04082
32 1JQD SAH 0.01752 0.42768 2.05479
33 3ITJ FAD 0.02527 0.42854 2.07101
34 3A7R LAQ 0.04289 0.41148 2.07715
35 5X8G S0N 0.007723 0.46187 2.10773
36 2WOX NDP 0.01928 0.42702 2.10773
37 3UCL CYH 0.04074 0.42473 2.10773
38 3UCL FAD 0.04074 0.42473 2.10773
39 3UCL NAP 0.04327 0.42473 2.10773
40 1F0X FAD 0.02205 0.42268 2.10773
41 5FJN BE2 0.03992 0.41115 2.10773
42 5FJN FAD 0.03644 0.41115 2.10773
43 1SKQ GDP 0.01304 0.40525 2.10773
44 1C3Q TZE 0.01434 0.42818 2.11268
45 2VHW NAI 0.04259 0.40782 2.12202
46 5IN4 GDP 0.04638 0.44262 2.1978
47 5IN4 NAP 0.04764 0.44262 2.1978
48 5IN4 6CK 0.04722 0.44262 2.1978
49 1RKX NAD 0.02893 0.40718 2.2409
50 3K56 IS3 0.0121 0.41805 2.25564
51 2P41 SAH 0.01886 0.41303 2.29508
52 1PS9 FAD 0.003118 0.48488 2.34192
53 4JDR FAD 0.005887 0.46521 2.34192
54 1Q9I TEO 0.01317 0.45414 2.34192
55 1Q9I FAD 0.01317 0.45414 2.34192
56 1PJS SAH 0.02687 0.40182 2.34192
57 4Q9N NAI 0.03441 0.4108 2.34899
58 4HVK PMP 0.03383 0.40154 2.35602
59 1XTP SAI 0.01041 0.42646 2.3622
60 1TZJ A3B 0.003524 0.40542 2.36686
61 1E6E FAD 0.002244 0.48796 2.3913
62 1E1M FAD 0.004442 0.48542 2.3913
63 1E1M NAP 0.004442 0.48542 2.3913
64 1QZR ANP 0.007346 0.43059 2.39234
65 1QZR CDX 0.02649 0.42771 2.39234
66 2D2F ADP 0.006035 0.40354 2.4
67 2JFN GLU 0.01236 0.41622 2.45614
68 1RZ1 FAD 0.03474 0.40311 2.48447
69 4RPL 3UC 0.0109 0.464 2.50627
70 4RPL FAD 0.01158 0.46008 2.50627
71 1PL6 NAD 0.02608 0.40535 2.52809
72 4UP3 FAD 0.01443 0.43739 2.54777
73 1KEV NDP 0.01012 0.43573 2.5641
74 5X20 NAD 0.03498 0.40017 2.5641
75 4MIG G3F 0.005846 0.47014 2.57611
76 3QVP FAD 0.008467 0.44671 2.57611
77 3WE0 FAD 0.02973 0.44659 2.57611
78 2CHG ANP 0.00444 0.44297 2.65487
79 1U70 MTX 0.03929 0.41576 2.68817
80 1U70 NDP 0.03929 0.41576 2.68817
81 1U72 NDP 0.04838 0.4111 2.68817
82 1U72 MTX 0.04838 0.4111 2.68817
83 3LZW FAD 0.03902 0.43871 2.71084
84 1J0X NAD 0.02807 0.42259 2.71084
85 3I53 SAH 0.02266 0.40403 2.71084
86 4BI7 PGA 0.02715 0.40989 2.72374
87 1VPE ANP 0.003687 0.44336 2.76382
88 5TDF 7A3 0.0008226 0.47008 2.77778
89 3MN5 ATP 0.01551 0.40627 2.78552
90 5IDM ANP 0.006087 0.43246 2.7933
91 1NJF AGS 0.01008 0.43027 2.8
92 1MO9 FAD 0.01558 0.46015 2.8103
93 1D4D FAD 0.006331 0.45697 2.8103
94 3NJ4 NAD 0.03085 0.44757 2.8103
95 1X6V ADP 0.03448 0.40796 2.8103
96 2PEZ DAT 0.04013 0.40616 2.8103
97 2PEZ GGZ 0.04013 0.40616 2.8103
98 1M7G ADX 0.04771 0.401 2.8436
99 1M7G ADP 0.04364 0.40058 2.8436
100 1KK1 GNP 0.004029 0.43194 2.92683
101 4RQU NAD 0.03536 0.41085 2.93333
102 1YJQ NAP 0.003387 0.46206 2.9703
103 5CUQ NSC 0.01688 0.42147 2.99625
104 3AYI HCI 0.02918 0.42937 3.0445
105 3AYI FAD 0.02843 0.42937 3.0445
106 2IID PHE 0.03076 0.42233 3.0445
107 2IID FAD 0.03076 0.42233 3.0445
108 3Q9T FAY 0.03391 0.4144 3.0445
109 1GQ2 NAP 0.04923 0.40011 3.0445
110 3AB1 FAD 0.003131 0.48048 3.05556
111 2OQ2 A3P 0.01125 0.42785 3.06513
112 1Z2I NAD 0.03623 0.40372 3.07263
113 2W9S NDP 0.02963 0.40585 3.10559
114 2C6Q NDP 0.03591 0.41914 3.1339
115 4WB6 ATP 0.02706 0.40171 3.14286
116 3ZNN 4WL 0.03037 0.42846 3.17003
117 3ZNN FAD 0.03037 0.42846 3.17003
118 3C1M ANP 0.02509 0.40954 3.17125
119 5KKA 6V0 0.01825 0.42376 3.20513
120 4HA9 NDP 0.008289 0.44058 3.21285
121 3MJE NDP 0.04097 0.40851 3.22581
122 2WET FAD 0.03192 0.42472 3.27869
123 3T2C 13P 0.04185 0.40008 3.27869
124 3CIF NAD 0.005799 0.44862 3.34262
125 3CIF G3H 0.009168 0.44433 3.34262
126 3EFV NAD 0.007521 0.44641 3.51288
127 2BD0 NAP 0.01615 0.42535 3.51288
128 4B7X NAP 0.02563 0.41619 3.51288
129 2XBL M7P 0.01869 0.40628 3.53535
130 1GET NAP 0.02955 0.43282 3.55556
131 1LBZ FBP 0.01101 0.4239 3.57143
132 4IXH IMP 0.03136 0.40299 3.60111
133 4REP FAD 0.002055 0.48862 3.63636
134 2JB2 FAD 0.009306 0.44821 3.68098
135 2JB2 PHE 0.009662 0.44821 3.68098
136 3UOY FAD 0.01582 0.45501 3.74707
137 3UOY NAP 0.01582 0.45501 3.74707
138 2F5Z FAD 0.01182 0.448 3.74707
139 4BV6 FAD 0.01334 0.43899 3.74707
140 4D7E FAD 0.01147 0.43438 3.74707
141 1T90 NAD 0.0262 0.41785 3.74707
142 3A06 NDP 0.04581 0.40168 3.74707
143 3A06 FOM 0.04939 0.40168 3.74707
144 1ZMD NAI 0.02936 0.4006 3.74707
145 1LLU NAD 0.00324 0.4631 3.80117
146 4GLL NAD 0.01005 0.43897 3.85757
147 2X7I CIT 0.01004 0.4123 3.8961
148 2DM6 IMN 0.01996 0.4261 3.9039
149 2Z3Y F2N 0.01242 0.44338 3.92749
150 3DMH SAM 0.01028 0.42285 3.93701
151 3DMH GMP 0.01477 0.42285 3.93701
152 1O9J NAD 0.008652 0.44595 3.98126
153 4Y2H 49K 0.03572 0.41563 3.98126
154 3GCZ SAM 0.01796 0.41341 3.98126
155 1UWK NAD 0.04141 0.41184 3.98126
156 1UWK URO 0.04141 0.41184 3.98126
157 2FZW NAD 0.02153 0.43875 4.02145
158 4TQG NDP 0.03375 0.40403 4.02477
159 2B4R AES 0.005113 0.45415 4.05797
160 2B4R NAD 0.007774 0.44211 4.05797
161 3RG9 WRA 0.04401 0.4074 4.16667
162 3RG9 NDP 0.03945 0.4074 4.16667
163 2C78 GNP 0.02457 0.40124 4.19753
164 1ZQ9 SAM 0.006486 0.43314 4.21053
165 4J56 FAD 0.01469 0.4437 4.21546
166 4E5N NAD 0.03684 0.41078 4.24242
167 2ZKJ ADP 0.004592 0.46954 4.31472
168 1EFV AMP 0.0439 0.41336 4.44444
169 1EFV FAD 0.0439 0.41336 4.44444
170 1KPG SAH 0.01523 0.41225 4.52962
171 3GFS FMN 0.006686 0.42706 4.5977
172 4CNK FAD 0.0266 0.42369 4.60358
173 1O6Z NAD 0.01873 0.41181 4.62046
174 1JG3 ADN 0.02161 0.40901 4.68085
175 1GKZ ADP 0.005023 0.44296 4.68384
176 2GZ3 NAP 0.04195 0.41716 4.68384
177 2V3A FAD 0.01515 0.43949 4.6875
178 4Q4K FMN 0.03066 0.40137 4.7619
179 1SQK ADP 0.009227 0.41491 4.77454
180 4B1Y ATP 0.01874 0.40349 4.78723
181 1IN4 ADP 0.02185 0.4063 4.79042
182 2FXU ATP 0.04147 0.42918 4.8
183 1D8T GDP 0.01091 0.41118 4.83461
184 4JBI NDP 0.03603 0.40284 4.86486
185 2HJR APR 0.01569 0.41455 4.87805
186 3AB3 GDP 0.02207 0.40561 4.87805
187 4LWP SAH 0.01043 0.41872 4.8913
188 5U8U FAD 0.01259 0.46234 4.91803
189 4IV9 FAD 0.01116 0.44318 4.91803
190 5MBX FAD 0.01997 0.43904 4.91803
191 5MBX SP5 0.01997 0.43904 4.91803
192 4BLW AMP 0.01584 0.42586 4.91803
193 4BLW SAH 0.01065 0.42586 4.91803
194 5FA8 SAM 0.01538 0.41955 4.96894
195 4M52 FAD 0.006443 0.46567 5.15223
196 2VVM FAD 0.005491 0.46514 5.15223
197 1O5Q PYR 0.004216 0.42815 5.15223
198 2HQM FAD 0.01916 0.42462 5.15223
199 3LM9 FRU 0.04504 0.41224 5.29801
200 4MO2 FDA 0.005458 0.46177 5.38642
201 4MO2 FAD 0.006072 0.45987 5.38642
202 1SVM ATP 0.0186 0.434 5.38642
203 5N2I NAP 0.02663 0.40101 5.38642
204 3JZ4 NAP 0.02325 0.41271 5.40541
205 2PEL LBT 0.009474 0.41098 5.50847
206 5LOG SAH 0.02781 0.40349 5.5794
207 4KM2 TOP 0.002924 0.47809 5.58659
208 4KM2 ATR 0.002801 0.47809 5.58659
209 5UAV NDP 0.01625 0.43505 5.59006
210 5UAV TFB 0.01625 0.43505 5.59006
211 4J4H NAI 0.03698 0.41738 5.62061
212 4J4H 1J1 0.03698 0.41738 5.62061
213 1KPH SAH 0.01675 0.40988 5.62061
214 4J1Q NDP 0.04338 0.40061 5.62061
215 2B9W FAD 0.01225 0.45739 5.66038
216 4YSX FAD 0.01751 0.43428 5.85106
217 1IOW PHY 0.04497 0.41036 5.88235
218 1IOW ADP 0.04497 0.41036 5.88235
219 2O07 MTA 0.03638 0.4036 5.92105
220 2O07 SPD 0.03996 0.4036 5.92105
221 1NV8 SAM 0.02536 0.41335 5.98592
222 1NV8 MEQ 0.02413 0.41335 5.98592
223 2ED4 FAD 0.03261 0.40829 6.04027
224 3AD8 PYC 0.01499 0.45449 6.06061
225 3AD8 FAD 0.01499 0.45449 6.06061
226 4EFH ADP 0.01288 0.40656 6.06061
227 4IP7 FBP 0.01112 0.41479 6.32318
228 5FUE UV4 0.02604 0.40052 6.32318
229 4GUT FAD 0.01208 0.4453 6.45161
230 2CDC NAP 0.01155 0.45689 6.55738
231 2CDC XYS 0.01155 0.45689 6.55738
232 2CDC XYP 0.01553 0.44507 6.55738
233 3LAD FAD 0.02079 0.43154 6.55738
234 2R4J 13P 0.03054 0.42003 6.55738
235 2R4J FAD 0.03054 0.42003 6.55738
236 3WXM GTP 0.02383 0.40454 6.55738
237 2FK8 SAM 0.01493 0.4132 6.60377
238 1NVM NAD 0.036 0.40441 6.66667
239 1PNO NAP 0.04762 0.4012 6.66667
240 5M67 NAD 0.01225 0.45096 7.02576
241 5M67 3D1 0.017 0.44115 7.02576
242 5UAO FAD 0.04598 0.41306 7.02576
243 5IXJ THR 0.03894 0.40806 7.02576
244 5N5D SAM 0.01711 0.41651 7.07965
245 3U4L ATP 0.02631 0.4034 7.14286
246 2HCJ GDP 0.01095 0.40804 7.16418
247 2GCG NDP 0.03862 0.4054 7.27273
248 3QV1 NAD 0.03294 0.40068 7.31707
249 2YVJ NAI 0.01743 0.41147 7.33945
250 4L8F MTX 0.002499 0.43379 7.37179
251 3T1O GDP 0.01745 0.40403 7.57576
252 1TU3 GNP 0.03367 0.4025 7.59494
253 3DUW SAH 0.03056 0.40135 7.62332
254 2VT3 ATP 0.009562 0.41728 7.90698
255 2PZM UDP 0.0207 0.42615 7.96253
256 2PZM NAD 0.0207 0.42615 7.96253
257 2GMP NAG MAN 0.006088 0.41103 8.33333
258 4YWV SSN 0.01264 0.43593 8.43091
259 3MAX LLX 0.02257 0.41245 8.44687
260 2XVE FAD 0.002727 0.49988 8.8993
261 5JFL NAD 0.01565 0.4294 8.8993
262 3D36 ADP 0.004448 0.44067 9.01639
263 3ZYR ASN NAG NAG BMA MAN MAN NAG NAG 0.01029 0.42828 9.1954
264 3ZYR NAG NAG BMA MAN MAN NAG NAG 0.01135 0.42594 9.1954
265 1WG8 SAM 0.03417 0.4039 9.47368
266 3S2Y FMN 0.01806 0.41191 9.54774
267 4OR7 NAP 0.01546 0.42278 9.69697
268 3AFN NAP 0.02204 0.4233 10.0775
269 1IBR GNP 0.01885 0.41674 10.1852
270 3QFA FAD 0.03357 0.41701 11.2069
271 5BW4 SAM 0.01432 0.41154 11.985
272 1C4Q GLA GAL BGC 0.01166 0.40489 14.4928
273 4XUC SAM 0.04975 0.40588 16.5138
274 4XUC 43G 0.04975 0.40588 16.5138
275 4HSU FAD 0.009688 0.45081 30
276 5DWQ SFG 0.01797 0.41198 35
277 2PAV ATP 0.00705 0.44876 43.75
Pocket No.: 2; Query (leader) PDB : 4XFR; Ligand: CIT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4xfr.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4XFR; Ligand: CIT; Similar sites found: 44
This union binding pocket(no: 3) in the query (biounit: 4xfr.bio3) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5AR0 GB8 0.007286 0.43576 1.52284
2 4YLL 4E3 0.02225 0.41081 1.66205
3 4OYA 1VE 0.04005 0.42716 1.87354
4 3VZ3 NAP 0.01391 0.4333 1.96937
5 2WME NAP 0.0245 0.40257 2.10773
6 5BUK FAD 0.0114 0.44726 2.34192
7 4A0M NAD 0.04115 0.40493 2.34192
8 4D42 W0I 0.03534 0.42306 2.48227
9 4D42 NAP 0.03534 0.42306 2.48227
10 5JCA FAD 0.007919 0.4591 2.57611
11 5JCA NDP 0.01316 0.4591 2.57611
12 5L4L NAP 0.02916 0.40544 2.63158
13 4PNE SAH 0.02645 0.40444 2.64901
14 4HEQ FMN 0.01475 0.41504 2.73973
15 4CE5 PDG 0.03168 0.40393 3.003
16 4RGQ NDP 0.0115 0.43206 3.26087
17 4RGQ 13P 0.014 0.43206 3.26087
18 2C7G ODP 0.03274 0.4539 3.27869
19 5IN3 G1P 0.01059 0.4017 3.74065
20 1ZMD FAD 0.01567 0.4415 3.74707
21 4HI0 GDP 0.02611 0.40249 3.74707
22 3GRU AMP 0.02169 0.41313 4.40678
23 3TKY SAH 0.01075 0.42299 4.44965
24 1YAG ATP 0.01261 0.4219 4.8
25 2BVN GNP 0.01323 0.41232 4.83461
26 5BSH PRO 0.03921 0.40303 5.05415
27 5HRA DAS 0.02094 0.40085 5.10638
28 3JVH HHV 0.03474 0.41278 5.15223
29 4USQ FAD 0.0206 0.45322 5.26316
30 2PEL LAT 0.004913 0.41869 5.50847
31 1R18 SAH 0.02686 0.40743 5.62061
32 3G89 SAM 0.02121 0.40164 5.62249
33 1P0F NAP 0.0316 0.41494 5.63003
34 3H8V ATP 0.009389 0.42407 6.50685
35 1PR9 NAP 0.01508 0.43016 6.55738
36 3D3W NAP 0.01818 0.42606 6.55738
37 5M67 ADE 0.02376 0.43559 7.02576
38 2D1K ATP 0.01607 0.41078 7.02576
39 1O94 ADP 0.02602 0.40711 7.25995
40 1I9G SAM 0.01462 0.41996 7.96253
41 5G5G FAD 0.0477 0.41407 7.96253
42 1T0I FMN 0.0239 0.40659 11.5183
43 2QWO ADP 0.006069 0.44137 14.1304
44 3VPB ADP 0.03467 0.40058 16.0714
Pocket No.: 4; Query (leader) PDB : 4XFR; Ligand: CIT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4xfr.bio3) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4XFR; Ligand: CIT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4xfr.bio3) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4XFR; Ligand: CIT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4xfr.bio3) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4XFR; Ligand: CIT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4xfr.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4XFR; Ligand: CIT; Similar sites found: 21
This union binding pocket(no: 8) in the query (biounit: 4xfr.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4D8N 0HM 0.01155 0.42371 1.34529
2 3NKS ACJ 0.01067 0.41804 1.40515
3 3VZ3 SSN 0.03731 0.41119 1.96937
4 1P3D ANP 0.02328 0.40427 2.10773
5 2CUL FAD 0.04791 0.40312 2.15517
6 1WRA PC 0.007949 0.40454 2.27273
7 1NC4 DOF 0.00172 0.4306 3.16742
8 1NC2 DOE 0.001828 0.41817 3.16742
9 5KOK SAH 0.02109 0.41471 3.98126
10 3N5O GSH 0.006646 0.43164 4.25532
11 1FEC FAD 0.04147 0.41545 5.15223
12 4PIV 2W4 0.01427 0.41116 5.15223
13 1JBW ACQ 0.02377 0.4188 6.08899
14 4QJP V1F 0.02981 0.40703 6.46388
15 1O94 AMP 0.008981 0.42096 7.25995
16 1NZY BCA 0.03451 0.40601 7.72834
17 1JXZ BCA 0.04192 0.40095 7.72834
18 2WPF FAD 0.02747 0.45018 9.36768
19 2WPF WPF 0.03425 0.44491 9.36768
20 5XDT MB3 0.009992 0.44039 10.3045
21 5XDT GDP 0.00736 0.44039 10.3045
Feedback