Receptor
PDB id Resolution Class Description Source Keywords
3B1R 2 Å EC: 2.7.1.143 STRUCTURE OF BURKHOLDERIA THAILANDENSIS NUCLEOSIDE KINASE (B COMPLEX WITH AMP-MG-AMP BURKHOLDERIA THAILANDENSIS ROSSMANN FOLD KINASE ATP BINDING MG BINDING NUCLEOSIDE BTRANSFERASE
Ref.: STRUCTURES OF BURKHOLDERIA THAILANDENSIS NUCLEOSIDE IMPLICATIONS FOR THE CATALYTIC MECHANISM AND NUCLEO SELECTIVITY ACTA CRYSTALLOGR.,SECT.D V. 67 945 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMP A:501;
A:502;
B:501;
B:502;
C:501;
C:502;
D:501;
D:502;
E:501;
E:502;
F:502;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
347.221 C10 H14 N5 O7 P c1nc(...
AMP MG F:501;
Valid;
none;
submit data
369.513 n/a [P+](...
MG A:503;
B:503;
C:503;
D:313;
D:503;
E:503;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3B1Q 1.7 Å EC: 2.7.1.143 STRUCTURE OF BURKHOLDERIA THAILANDENSIS NUCLEOSIDE KINASE (B COMPLEX WITH INOSINE BURKHOLDERIA THAILANDENSIS ROSSMANN FOLD KINASE ATP BINDING MG BINDING NUCLEOSIDE BTRANSFERASE
Ref.: STRUCTURES OF BURKHOLDERIA THAILANDENSIS NUCLEOSIDE IMPLICATIONS FOR THE CATALYTIC MECHANISM AND NUCLEO SELECTIVITY ACTA CRYSTALLOGR.,SECT.D V. 67 945 2011
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3B1P - NOS C10 H12 N4 O5 c1nc2c(n1[....
2 3B1Q - NOS C10 H12 N4 O5 c1nc2c(n1[....
3 3B1R - AMP MG n/a n/a
4 3B1N - MZR C9 H13 N3 O6 c1nc(c(n1[....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3B1P - NOS C10 H12 N4 O5 c1nc2c(n1[....
2 3B1Q - NOS C10 H12 N4 O5 c1nc2c(n1[....
3 3B1R - AMP MG n/a n/a
4 3B1N - MZR C9 H13 N3 O6 c1nc(c(n1[....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4PVV ic50 = 0.33 uM HO4 C13 H14 N4 O4 C#Cc1cn(c2....
2 4O1G - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
3 2PKK - 2FA C10 H12 F N5 O4 c1nc2c(nc(....
4 2PKM - ADN C10 H13 N5 O4 c1nc(c2c(n....
5 2PKN - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
6 3B1P - NOS C10 H12 N4 O5 c1nc2c(n1[....
7 3B1Q - NOS C10 H12 N4 O5 c1nc2c(n1[....
8 3B1R - AMP MG n/a n/a
9 3B1N - MZR C9 H13 N3 O6 c1nc(c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AMP MG; Similar ligands found: 350
No: Ligand ECFP6 Tc MDL keys Tc
1 AMP MG 1 1
2 AMP 0.818182 0.916667
3 A 0.818182 0.916667
4 ADP MG 0.802817 0.985915
5 A2D 0.782609 0.891892
6 ABM 0.782609 0.891892
7 ADP 0.774648 0.891892
8 BEF ADP 0.767123 0.958904
9 ADP BEF 0.767123 0.958904
10 BA3 0.760563 0.891892
11 AP2 0.760563 0.857143
12 A12 0.760563 0.857143
13 ATP MG 0.76 0.985915
14 SRA 0.753623 0.868421
15 AP5 0.75 0.891892
16 B4P 0.75 0.891892
17 ADP PO3 0.746667 0.943662
18 AN2 0.739726 0.88
19 CA0 0.72973 0.868421
20 ADX 0.72973 0.804878
21 AU1 0.72973 0.868421
22 M33 0.72973 0.88
23 GAP 0.727273 0.893333
24 ANP MG 0.721519 0.945946
25 ACP 0.72 0.868421
26 ATP 0.72 0.891892
27 50T 0.72 0.905405
28 5FA 0.710526 0.891892
29 AQP 0.710526 0.891892
30 APC 0.710526 0.857143
31 PRX 0.710526 0.868421
32 AR6 0.710526 0.891892
33 APR 0.710526 0.891892
34 ADP ALF 0.708861 0.894737
35 ALF ADP 0.708861 0.894737
36 SAP 0.701299 0.846154
37 AGS 0.701299 0.846154
38 RBY 0.701299 0.857143
39 ADV 0.701299 0.857143
40 AD9 0.701299 0.893333
41 VO4 ADP 0.7 0.931507
42 ADP VO4 0.7 0.931507
43 ACQ 0.683544 0.868421
44 ANP 0.683544 0.868421
45 TAT 0.683544 0.857143
46 DAL AMP 0.682927 0.905405
47 5AL 0.675 0.88
48 SON 0.671053 0.857143
49 ATF 0.666667 0.857143
50 XYA 0.661538 0.819444
51 ADN 0.661538 0.819444
52 RAB 0.661538 0.819444
53 SRP 0.658537 0.857143
54 ADP BMA 0.651163 0.893333
55 AOC 0.648649 0.821918
56 A A 0.643678 0.917808
57 A22 0.642857 0.88
58 MAP 0.642857 0.894737
59 5N5 0.641791 0.794521
60 5AS 0.636364 0.738636
61 5SV 0.635294 0.825
62 OOB 0.635294 0.88
63 8QN 0.635294 0.88
64 25A 0.635294 0.891892
65 5CD 0.632353 0.805556
66 A4D 0.632353 0.794521
67 MYR AMP 0.629214 0.817073
68 A1R 0.627907 0.835443
69 4AD 0.627907 0.87013
70 PAJ 0.627907 0.814815
71 ADQ 0.627907 0.868421
72 AMO 0.627907 0.857143
73 DLL 0.62069 0.88
74 00A 0.62069 0.835443
75 AHX 0.62069 0.825
76 ME8 0.617977 0.795181
77 ATP A A A 0.615385 0.930556
78 3UK 0.613636 0.868421
79 OAD 0.613636 0.868421
80 TYR AMP 0.608696 0.881579
81 LAD 0.606742 0.814815
82 PR8 0.606742 0.804878
83 WAQ 0.606742 0.835443
84 EP4 0.605634 0.753247
85 AMP DBH 0.602151 0.893333
86 TXA 0.6 0.857143
87 FYA 0.6 0.88
88 JB6 0.6 0.835443
89 NB8 0.6 0.825
90 1ZZ 0.6 0.795181
91 BIS 0.6 0.835443
92 PTJ 0.6 0.825
93 3OD 0.6 0.868421
94 FA5 0.597826 0.857143
95 DTA 0.597222 0.786667
96 M2T 0.597222 0.75641
97 3DH 0.594595 0.773333
98 AHZ 0.59375 0.817073
99 25L 0.593407 0.88
100 G5A 0.590361 0.738636
101 AR6 AR6 0.589474 0.917808
102 MTA 0.589041 0.773333
103 9SN 0.586957 0.825
104 A3P 0.582278 0.890411
105 7D5 0.581081 0.828947
106 YAP 0.580645 0.846154
107 ARG AMP 0.57732 0.807229
108 A3N 0.576923 0.763158
109 AF3 ADP 3PG 0.575758 0.860759
110 ALF ADP 3PG 0.575758 0.860759
111 LA8 ALF 3PG 0.575758 0.860759
112 XAH 0.574468 0.795181
113 6RE 0.571429 0.759494
114 LPA AMP 0.571429 0.817073
115 A5A 0.569767 0.764706
116 4UV 0.568421 0.846154
117 TSB 0.568182 0.755814
118 3AM 0.565789 0.876712
119 SSA 0.563218 0.738636
120 G3A 0.5625 0.825
121 A2P 0.5625 0.876712
122 MAO 0.5625 0.738095
123 A A A 0.56044 0.905405
124 PAP 0.559524 0.878378
125 ZAS 0.558442 0.789474
126 J7C 0.556962 0.746835
127 54H 0.556818 0.747126
128 VMS 0.556818 0.747126
129 52H 0.556818 0.738636
130 4UU 0.556701 0.846154
131 G5P 0.556701 0.825
132 AFH 0.556701 0.814815
133 7MD 0.556701 0.795181
134 GTA 0.55102 0.817073
135 TAD 0.55102 0.814815
136 53H 0.550562 0.738636
137 5CA 0.550562 0.738636
138 7D3 0.55 0.807692
139 TXD 0.55 0.835443
140 S4M 0.55 0.686047
141 NAX 0.55 0.804878
142 NVA LMS 0.549451 0.741573
143 2A5 0.547619 0.820513
144 U A G G 0.54717 0.858974
145 LAQ 0.545455 0.795181
146 TXE 0.544554 0.835443
147 DSH 0.544304 0.725
148 ATR 0.541176 0.864865
149 48N 0.54 0.825
150 YLP 0.54 0.776471
151 NSS 0.538462 0.758621
152 DSZ 0.538462 0.738636
153 LSS 0.538462 0.722222
154 P5A 0.537634 0.706522
155 IMO 0.5375 0.851351
156 5AD 0.536232 0.746479
157 5X8 0.535714 0.763158
158 UP5 0.534653 0.846154
159 6V0 0.534653 0.825
160 4UW 0.534653 0.814815
161 DND 0.534653 0.881579
162 NAI 0.534653 0.835443
163 NXX 0.534653 0.881579
164 2AM 0.532468 0.864865
165 GJV 0.530864 0.75
166 TYM 0.529412 0.857143
167 OMR 0.529412 0.785714
168 V3L 0.528736 0.891892
169 NAD IBO 0.528302 0.894737
170 LEU LMS 0.526882 0.741573
171 AP0 0.524272 0.825
172 4TC 0.524272 0.825
173 7MC 0.524272 0.776471
174 YLB 0.524272 0.776471
175 YLC 0.524272 0.795181
176 UPA 0.524272 0.835443
177 7D4 0.52381 0.807692
178 4TA 0.523364 0.807229
179 NAD 0.523364 0.905405
180 G A A A 0.523364 0.848101
181 SA8 0.523256 0.707317
182 PPS 0.522727 0.783133
183 GSU 0.521277 0.738636
184 KAA 0.521277 0.714286
185 A4P 0.519231 0.758621
186 SFG 0.517647 0.75
187 IOT 0.514286 0.767442
188 A3D 0.513761 0.893333
189 OVE 0.5125 0.831169
190 A7D 0.511905 0.776316
191 SAM 0.511364 0.710843
192 PO4 PO4 A A A A PO4 0.510638 0.902778
193 YSA 0.510204 0.738636
194 139 0.509434 0.804878
195 ADJ 0.509434 0.785714
196 T5A 0.509434 0.776471
197 YLA 0.509434 0.776471
198 NAJ PZO 0.509091 0.848101
199 7D7 0.507042 0.743243
200 Y3J 0.506849 0.726027
201 A3G 0.506173 0.776316
202 MHZ 0.505882 0.678161
203 ITT 0.505882 0.84
204 A2R 0.505495 0.88
205 CNA 0.504673 0.881579
206 AYB 0.504673 0.767442
207 DZD 0.504587 0.814815
208 AV2 0.5 0.842105
209 6C6 0.5 0.833333
210 SAI 0.5 0.75641
211 SAH 0.5 0.74359
212 NAE 0.495575 0.87013
213 BTX 0.495413 0.776471
214 COD 0.495413 0.75
215 SMM 0.494505 0.705882
216 NAQ 0.491228 0.848101
217 NAJ PYZ 0.491228 0.85
218 BT5 0.490909 0.767442
219 4YB 0.490196 0.722222
220 EEM 0.488889 0.731707
221 6AD 0.488889 0.814815
222 A5D 0.488636 0.786667
223 71V 0.488095 0.835443
224 NEC 0.487805 0.723684
225 ZID 0.486957 0.893333
226 AMP NAD 0.486957 0.906667
227 7C5 0.485149 0.772152
228 Z5A 0.482759 0.77907
229 GEK 0.478723 0.7375
230 S7M 0.478261 0.710843
231 6IA 0.477778 0.792683
232 A3S 0.476744 0.786667
233 A U 0.476636 0.87013
234 YLY 0.473684 0.767442
235 M24 0.473684 0.804878
236 AAT 0.472527 0.707317
237 WSA 0.471698 0.747126
238 PGS 0.471264 0.8125
239 D5M 0.46988 0.828947
240 DA 0.46988 0.828947
241 NIA 0.469136 0.777778
242 U A C C 0.469027 0.858974
243 62X 0.46875 0.666667
244 2SA 0.467391 0.833333
245 A3T 0.465909 0.797297
246 DAT 0.465909 0.807692
247 AAM 0.464286 0.916667
248 NA7 0.463918 0.857143
249 K15 0.463918 0.682353
250 A6D 0.463918 0.743902
251 6K6 0.463158 0.878378
252 NDE 0.46281 0.881579
253 C2R 0.4625 0.805195
254 AMZ 0.4625 0.815789
255 N0B 0.461538 0.776471
256 3AT 0.461538 0.866667
257 3AD 0.460526 0.805556
258 PLP AAD 0.460177 0.761364
259 0UM 0.458333 0.698795
260 649 0.457944 0.706522
261 MZP 0.455696 0.824324
262 NDC 0.455285 0.848101
263 AIR 0.454545 0.849315
264 EAD 0.453782 0.804878
265 ARU 0.453608 0.771084
266 GGZ 0.452632 0.759036
267 KB1 0.45 0.698795
268 TM1 0.45 0.732558
269 S8M 0.447917 0.7375
270 AVV 0.447917 0.825
271 CC5 0.445946 0.816901
272 ACK 0.445783 0.835616
273 QQY 0.445783 0.792208
274 DTP 0.445652 0.807692
275 U G A 0.440945 0.817073
276 101 0.440476 0.828947
277 SXZ 0.44 0.690476
278 P1H 0.439024 0.785714
279 N6P 0.438776 0.863014
280 2BA 0.436782 0.863014
281 CMP 0.436782 0.875
282 QQX 0.433735 0.782051
283 2VA 0.433333 0.776316
284 V1N 0.432692 0.891892
285 FB0 0.432 0.725275
286 N01 0.431034 0.905405
287 NAD BBN 0.430769 0.819277
288 AS 0.430233 0.7875
289 7RA 0.430233 0.90411
290 ENQ 0.43 0.890411
291 NMN AMP PO4 0.429825 0.87013
292 SP1 0.428571 0.818182
293 RP1 0.428571 0.818182
294 GCP G 0.428571 0.858974
295 A52 0.427273 0.797468
296 7DD 0.426966 0.878378
297 SFD 0.426357 0.680412
298 8BR 0.425287 0.857143
299 FDA 0.425197 0.75
300 NAD CJ3 0.424242 0.790698
301 3L1 0.423077 0.75
302 3D1 0.423077 0.75
303 D3Y 0.42268 0.766234
304 128 0.422018 0.715909
305 6FA 0.421875 0.776471
306 NJP 0.421053 0.87013
307 ODP 0.421053 0.8375
308 KH3 0.420561 0.674419
309 A2H 0.419643 0.759036
310 SO8 0.419355 0.766234
311 VRT 0.419355 0.746835
312 FAD NBT 0.419118 0.712766
313 APC G U 0.418803 0.8125
314 SLU 0.418803 0.730337
315 7RP 0.418605 0.875
316 U A A U 0.418033 0.858974
317 2FA 0.417722 0.789474
318 26A 0.417722 0.74026
319 0WD 0.417391 0.825
320 NPW 0.415929 0.795181
321 3NZ 0.415842 0.759494
322 FAD 0.415385 0.785714
323 FAS 0.415385 0.785714
324 DDS 0.414894 0.782051
325 RMB 0.413793 0.821918
326 RGT 0.413462 0.857143
327 5F1 0.4125 0.710526
328 TXP 0.412281 0.825
329 NZQ 0.412281 0.814815
330 CNV FAD 0.411765 0.752809
331 1RB 0.411765 0.833333
332 ANZ 0.411215 0.8
333 APU 0.410714 0.822785
334 NVA 2AD 0.408602 0.74359
335 FAD CNX 0.407143 0.690722
336 G 0.406593 0.833333
337 5GP 0.406593 0.833333
338 GDP MG 0.40625 0.896104
339 MTP 0.405063 0.708861
340 12D 0.40367 0.724138
341 NDP 0.403509 0.825
342 FNK 0.402985 0.725275
343 62F 0.402985 0.795181
344 DAL FAD PER 0.402878 0.809524
345 ALF 5GP 0.402062 0.817073
346 NAP 0.401639 0.893333
347 A U C C 0.401575 0.848101
348 6MD 0.4 0.783784
349 FAY 0.4 0.795181
350 1DA 0.4 0.819444
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3B1Q; Ligand: NOS; Similar sites found: 42
This union binding pocket(no: 1) in the query (biounit: 3b1q.bio2) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5BYZ 4WE 0.0052 0.42518 1.84049
2 4REP FAD 0.0282 0.40043 1.84049
3 3MA0 XYP 0.02066 0.40297 1.91693
4 5A0U CHT 0.0008773 0.40913 2.45399
5 2Q2A ARG 0.01181 0.40247 2.57353
6 4RW3 IPD 0.01106 0.41217 2.98013
7 1KC7 PPR 0.01442 0.40982 3.06748
8 3LL5 IP8 0.01248 0.4165 3.21285
9 2YNE YNE 0.04987 0.41003 3.37423
10 2YNE NHW 0.04987 0.41003 3.37423
11 4AVB CMP 0.01275 0.4009 3.37423
12 4DBH OXL 0.00186 0.45841 3.47222
13 2Q1A 2KT 0.006612 0.43154 3.75427
14 4WZ8 3W7 0.008667 0.42693 3.98773
15 5EOB 5QQ 0.00592 0.44275 4.38871
16 4AML GYU 0.005642 0.42366 5.26316
17 2HW1 FRU 0.000000004316 0.75073 6.37584
18 5TVM PUT 0.014 0.4046 6.46154
19 1UA4 GLC 0.000002227 0.51355 7.66871
20 1UA4 BGC 0.000002227 0.51355 7.66871
21 3NC9 TR3 0.00002106 0.54808 8.28221
22 3O2K DST 0.01451 0.41078 9.5092
23 2CM4 RCL 0.002379 0.4047 10
24 2EB5 OXL 0.01675 0.40631 10.1124
25 2BOS GLA GAL 0.008146 0.40952 10.2941
26 1RKD ADP 0.02395 0.42238 12.2977
27 1RKD RIB 0.00004013 0.40689 12.2977
28 2VAR KDF 0.000002558 0.52852 13.099
29 2VAR KDG 0.00000345 0.52378 13.099
30 5IDB BMA 0.01369 0.41144 13.3803
31 5IDB MAN 0.01369 0.41144 13.3803
32 5FAW CHT 0.0006886 0.40855 13.8037
33 3OTX AP5 0.00007996 0.51356 14.7239
34 2I6A 5I5 0.000005181 0.54097 15.0307
35 2JG1 TA6 0.000021 0.48492 15.6442
36 3LOO B4P 0.000002521 0.42612 16.5644
37 1TD2 PXL 0.02026 0.4034 16.7247
38 4YRD 3IT 0.01961 0.40461 17.1779
39 4XDA RIB 0.000006315 0.56325 31.3916
40 4XDA ADP 0.000006315 0.56325 31.3916
41 1V1A KDG 0.00001582 0.55207 34.3042
42 2C49 ADN 0.0000000002172 0.72889 46.6887
Pocket No.: 2; Query (leader) PDB : 3B1Q; Ligand: NOS; 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: 3b1q.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3B1Q; Ligand: NOS; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3b1q.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3B1Q; Ligand: NOS; Similar sites found: 20
This union binding pocket(no: 4) in the query (biounit: 3b1q.bio1) has 60 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4D4U FUC NDG GAL FUC 0.04714 0.40708 1.5873
2 2Y0I AKG 0.03867 0.41521 1.84049
3 1SQI 869 0.03057 0.40172 2.14724
4 1WOQ BGC 0.04016 0.40546 2.24719
5 4XF6 LIP 0.002214 0.40831 2.9304
6 4XF6 INS 0.002214 0.40831 2.9304
7 4XF6 ADP 0.002408 0.40472 2.9304
8 3HEE R5P 0.04955 0.4041 4.02685
9 4QM9 CYS 0.04991 0.40783 4.62428
10 4AZT LY2 0.03888 0.4062 4.90798
11 4WVW SLT 0.03755 0.40737 5.55556
12 1K4M CIT 0.02583 0.41416 6.10329
13 4QCK ASD 0.002448 0.45956 6.13497
14 2YMZ LAT 0.01107 0.40415 6.92308
15 4RL4 PPV 0.01307 0.44983 7.07547
16 4QDF 30Q 0.01457 0.41752 8.89571
17 2BOS GLA GAL GLC 0.001405 0.43808 10.2941
18 2Z77 NCA 0.01614 0.43476 10.7914
19 5DG2 GAL GLC 0.005519 0.42817 11.1111
20 4OFG PCG 0.02866 0.40963 13.1944
Pocket No.: 5; Query (leader) PDB : 3B1Q; Ligand: NOS; Similar sites found: 33
This union binding pocket(no: 5) in the query (biounit: 3b1q.bio3) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5HCY 60D 0.02584 0.40115 0.920245
2 4LAY I63 0.02182 0.40357 1.78571
3 4B7E OGA 0.02138 0.40599 1.84049
4 2XUM OGA 0.02134 0.40473 1.84049
5 3MTX PGT 0.01241 0.40571 1.98676
6 1Y9Q MED 0.005078 0.43601 2.08333
7 1M1B SPV 0.01258 0.41784 2.37288
8 4FHD EEM 0.01528 0.40159 2.45399
9 3RGA LSB 0.002939 0.42416 2.4735
10 4GJY OGA 0.01663 0.4119 2.55319
11 3NW7 LGV 0.02479 0.40372 2.9316
12 5D3X 4IP 0.01579 0.41258 2.99401
13 3KV5 OGA 0.01849 0.40376 3.06748
14 2WT9 NIO 0.02269 0.40386 3.40426
15 2CYC TYR 0.02556 0.40156 4
16 1SDW IYT 0.01211 0.40385 4.14013
17 5IXG OTP 0.02906 0.40124 4.14201
18 3ZGJ RMN 0.00893 0.42341 5.12129
19 4YVN EBS 0.01265 0.41647 5.21472
20 2R5V HHH 0.006944 0.41524 5.21472
21 1P0Z FLC 0.004286 0.44043 5.34351
22 2ET1 GLV 0.008666 0.4258 5.47264
23 2CFC KPC 0.02486 0.40212 6
24 3PGU OLA 0.01123 0.40942 6.44172
25 5T7I LAT NAG GAL 0.0126 0.41804 6.45161
26 1U18 HSM 0.03411 0.40239 7.56757
27 3T7V MD0 0.01652 0.40977 8.58896
28 1ULE GLA GAL NAG 0.02193 0.40422 9.33333
29 2VEG PMM 0.01707 0.40468 9.87261
30 4JH6 FCN 0.003274 0.44027 10.1449
31 2HKA C3S 0.004708 0.40244 12.3077
32 1I82 BGC BGC 0.01666 0.41036 12.6984
33 2HZQ STR 0.01182 0.41857 14.9425
Pocket No.: 6; Query (leader) PDB : 3B1Q; Ligand: NOS; 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: 3b1q.bio3) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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