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Receptor
PDB id Resolution Class Description Source Keywords
2QX0 1.8 Å EC: 2.7.6.3 CRYSTAL STRUCTURE OF YERSINIA PESTIS HPPK (TERNARY COMPLEX) YERSINIA PESTIS 3-LAYERED ALPHA-BATA-ALPHA FOLD HOMODIMER TERNARY COMPLEXKINASE TRANSFERASE
Ref.: STRUCTURE AND ACTIVITY OF YERSINIA PESTIS 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE AS A NOVEL TARGET FOR THE DEVELOPMENT OF ANTIPLAGUE THERAPEUTICS. ACTA CRYSTALLOGR.,SECT.D V. 63 1169 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
APC A:171;
B:172;
Valid;
Valid;
none;
none;
submit data
505.208 C11 H18 N5 O12 P3 c1nc(...
MG A:161;
A:162;
B:163;
B:164;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
PH2 A:181;
B:182;
Valid;
Valid;
none;
none;
Kd = 0.78 uM
195.179 C7 H9 N5 O2 C1C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2QX0 1.8 Å EC: 2.7.6.3 CRYSTAL STRUCTURE OF YERSINIA PESTIS HPPK (TERNARY COMPLEX) YERSINIA PESTIS 3-LAYERED ALPHA-BATA-ALPHA FOLD HOMODIMER TERNARY COMPLEXKINASE TRANSFERASE
Ref.: STRUCTURE AND ACTIVITY OF YERSINIA PESTIS 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE AS A NOVEL TARGET FOR THE DEVELOPMENT OF ANTIPLAGUE THERAPEUTICS. ACTA CRYSTALLOGR.,SECT.D V. 63 1169 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2QX0 Kd = 0.78 uM PH2 C7 H9 N5 O2 C1C(=NC2=C....
70% Homology Family (38)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3HD1 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
2 5ETO Kd = 2.7 uM 5RY C13 H9 F N6 O S c1cc(c(cc1....
3 1HQ2 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
4 3HT0 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
5 4M5J Kd = 14.5 uM YH5 C14 H13 N5 O3 S COc1ccc(cc....
6 5ETP Kd = 0.7 uM 5RZ C13 H10 Br N5 O2 S c1cc(ccc1C....
7 1DY3 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 5ETM Kd = 3.9 uM 5RW C12 H10 F N5 O S c1cc(ccc1C....
9 3HSG - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
10 5ETN Kd = 4.3 uM 5RX C12 H10 Cl N5 O S c1cc(ccc1C....
11 4M5M Kd = 18 uM DX4 C5 H5 N5 S c1[nH]c2c(....
12 1EX8 Kd = 0.47 uM A4P C17 H24 N10 O17 P4 c1nc(c2c(n....
13 4M5H Kd = 29.2 uM YH2 C13 H10 N6 O S c1cc(ccc1C....
14 1EQM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
15 3UDE - J1B C26 H38 N12 O4 S CC1(C(=NC2....
16 1Q0N - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
17 1RU2 Kd = 18 uM HHR C7 H7 N5 O2 c1c(nc2c(n....
18 3UD5 - J1A C24 H32 N12 O4 S c1c(nc2c(n....
19 4M5K Kd = 5.9 uM YH3 C14 H13 N5 O2 S Cc1cccc(c1....
20 4M5G Kd = 9.7 uM YH1 C13 H11 N5 O2 S c1ccc(cc1)....
21 5ETK Kd = 50 uM 5RU C12 H10 F N5 O S c1ccc(c(c1....
22 3IP0 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
23 3ILO - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
24 3HD2 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
25 4M5N Kd = 7.5 uM YH7 C5 H5 N5 S C1=NC2=C(N....
26 1RB0 - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
27 5ETL Kd = 23 uM 5RV C13 H10 N6 O S c1ccc(c(c1....
28 4M5I Kd = 6.7 uM YH6 C14 H13 N5 O2 S Cc1ccc(cc1....
29 4F7V Kd = 4.16 uM J1D C23 H30 N12 O8 S CC1(C(=NC2....
30 1RU1 Kd = 18 uM PH2 C7 H9 N5 O2 C1C(=NC2=C....
31 3KUH - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
32 1F9H - PH2 C7 H9 N5 O2 C1C(=NC2=C....
33 3UDV Kd = 2.55 uM J1C C26 H36 N12 O5 S CC1(C(=NC2....
34 1RAO - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
35 1TMM Kd = 0.23 uM APC C11 H18 N5 O12 P3 c1nc(c2c(n....
36 4M5L Kd = 18.9 uM YH4 C14 H13 N5 O2 S Cc1ccccc1C....
37 2QX0 Kd = 0.78 uM PH2 C7 H9 N5 O2 C1C(=NC2=C....
38 1CBK - ROI C8 H11 N5 O2 CC1(C(=NC2....
50% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3HD1 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
2 5ETO Kd = 2.7 uM 5RY C13 H9 F N6 O S c1cc(c(cc1....
3 1HQ2 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
4 3HT0 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
5 4M5J Kd = 14.5 uM YH5 C14 H13 N5 O3 S COc1ccc(cc....
6 5ETP Kd = 0.7 uM 5RZ C13 H10 Br N5 O2 S c1cc(ccc1C....
7 1DY3 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 5ETM Kd = 3.9 uM 5RW C12 H10 F N5 O S c1cc(ccc1C....
9 3HSG - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
10 5ETN Kd = 4.3 uM 5RX C12 H10 Cl N5 O S c1cc(ccc1C....
11 4M5M Kd = 18 uM DX4 C5 H5 N5 S c1[nH]c2c(....
12 1EX8 Kd = 0.47 uM A4P C17 H24 N10 O17 P4 c1nc(c2c(n....
13 4M5H Kd = 29.2 uM YH2 C13 H10 N6 O S c1cc(ccc1C....
14 1EQM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
15 3UDE - J1B C26 H38 N12 O4 S CC1(C(=NC2....
16 1Q0N - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
17 1RU2 Kd = 18 uM HHR C7 H7 N5 O2 c1c(nc2c(n....
18 3UD5 - J1A C24 H32 N12 O4 S c1c(nc2c(n....
19 4M5K Kd = 5.9 uM YH3 C14 H13 N5 O2 S Cc1cccc(c1....
20 4M5G Kd = 9.7 uM YH1 C13 H11 N5 O2 S c1ccc(cc1)....
21 5ETK Kd = 50 uM 5RU C12 H10 F N5 O S c1ccc(c(c1....
22 3IP0 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
23 3ILO - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
24 3HD2 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
25 4M5N Kd = 7.5 uM YH7 C5 H5 N5 S C1=NC2=C(N....
26 1RB0 - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
27 5ETL Kd = 23 uM 5RV C13 H10 N6 O S c1ccc(c(c1....
28 4M5I Kd = 6.7 uM YH6 C14 H13 N5 O2 S Cc1ccc(cc1....
29 4F7V Kd = 4.16 uM J1D C23 H30 N12 O8 S CC1(C(=NC2....
30 1RU1 Kd = 18 uM PH2 C7 H9 N5 O2 C1C(=NC2=C....
31 3KUH - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
32 1F9H - PH2 C7 H9 N5 O2 C1C(=NC2=C....
33 3UDV Kd = 2.55 uM J1C C26 H36 N12 O5 S CC1(C(=NC2....
34 1RAO - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
35 1TMM Kd = 0.23 uM APC C11 H18 N5 O12 P3 c1nc(c2c(n....
36 4M5L Kd = 18.9 uM YH4 C14 H13 N5 O2 S Cc1ccccc1C....
37 2QX0 Kd = 0.78 uM PH2 C7 H9 N5 O2 C1C(=NC2=C....
38 1CBK - ROI C8 H11 N5 O2 CC1(C(=NC2....
39 4AD6 Kd = 16.7 uM GSY C7 H9 N5 O2 S C(CO)n1c2c....
40 5ETQ Kd = 0.33 uM YH2 C13 H10 N6 O S c1cc(ccc1C....
41 5ETR Kd = 0.3 uM 5RW C12 H10 F N5 O S c1cc(ccc1C....
42 4CRJ Kd = 1.1 uM YH5 C14 H13 N5 O3 S COc1ccc(cc....
43 4CWB Kd = 0.81 uM X6L C19 H15 N5 O2 S c1ccc(cc1)....
44 5ETS Kd = 1.24 uM 5RX C12 H10 Cl N5 O S c1cc(ccc1C....
45 3QBC Kd = 12.8 uM B55 C5 H5 N5 O S c12c([nH]c....
46 5ETT Kd = 0.59 uM 5RY C13 H9 F N6 O S c1cc(c(cc1....
47 5ETV Kd = 0.57 uM 5RZ C13 H10 Br N5 O2 S c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: APC; Similar ligands found: 345
No: Ligand ECFP6 Tc MDL keys Tc
1 APC 1 1
2 ACQ 0.831169 0.986301
3 AP2 0.821918 1
4 A12 0.821918 1
5 ADV 0.805195 0.972973
6 RBY 0.805195 0.972973
7 AMP 0.777778 0.931507
8 A 0.777778 0.931507
9 ADP 0.763158 0.958904
10 ACP 0.75641 0.986301
11 6YZ 0.756098 0.986301
12 A2D 0.746667 0.932432
13 AP5 0.74026 0.932432
14 B4P 0.74026 0.932432
15 HEJ 0.734177 0.958904
16 ATP 0.734177 0.958904
17 BA3 0.727273 0.932432
18 5FA 0.725 0.958904
19 AQP 0.725 0.958904
20 ABM 0.723684 0.881579
21 AT4 0.708861 0.921053
22 AN2 0.708861 0.945946
23 M33 0.7 0.92
24 T99 0.698795 0.921053
25 TAT 0.698795 0.921053
26 SRA 0.697368 0.883117
27 AR6 0.682927 0.932432
28 APR 0.682927 0.932432
29 ADX 0.679012 0.841463
30 CA0 0.679012 0.907895
31 AU1 0.679012 0.933333
32 ANP 0.678571 0.933333
33 AD9 0.674699 0.933333
34 SAP 0.674699 0.909091
35 AGS 0.674699 0.909091
36 ADP PO3 0.674699 0.905405
37 50T 0.670732 0.92
38 PRX 0.662651 0.858974
39 ATF 0.643678 0.921053
40 MAP 0.640449 0.909091
41 A22 0.640449 0.945946
42 GAP 0.639535 0.858974
43 TAD 0.632653 0.923077
44 5AL 0.632184 0.894737
45 SON 0.626506 0.946667
46 ADQ 0.626374 0.907895
47 ALF ADP 0.625 0.8375
48 ADP ALF 0.625 0.8375
49 LMS 0.620253 0.797619
50 VO4 ADP 0.617977 0.894737
51 SRP 0.617977 0.896104
52 ADP VO4 0.617977 0.894737
53 9ZA 0.615385 0.873418
54 25A 0.615385 0.932432
55 9ZD 0.615385 0.873418
56 XYA 0.611111 0.810811
57 RAB 0.611111 0.810811
58 ADN 0.611111 0.810811
59 25L 0.610526 0.945946
60 4AD 0.608696 0.909091
61 A3R 0.608696 0.922078
62 A1R 0.608696 0.922078
63 DAL AMP 0.604396 0.87013
64 OOB 0.597826 0.894737
65 8QN 0.597826 0.894737
66 5SV 0.597826 0.839506
67 9X8 0.595745 0.884615
68 OAD 0.595745 0.907895
69 ADP BMA 0.595745 0.883117
70 AMO 0.591398 0.921053
71 PAJ 0.591398 0.851852
72 AOC 0.585366 0.789474
73 00A 0.585106 0.85
74 AHX 0.585106 0.886076
75 DLL 0.585106 0.894737
76 PTJ 0.583333 0.8625
77 3OD 0.583333 0.907895
78 BIS 0.583333 0.897436
79 3UK 0.578947 0.883117
80 DZD 0.577982 0.923077
81 5AS 0.576471 0.752809
82 5N5 0.573333 0.786667
83 PR8 0.572917 0.864198
84 WAQ 0.572917 0.897436
85 LAD 0.572917 0.875
86 B5V 0.572917 0.871795
87 4TC 0.571429 0.910256
88 TXA 0.56701 0.896104
89 NB8 0.56701 0.886076
90 1ZZ 0.56701 0.831325
91 FYA 0.56701 0.894737
92 ME8 0.56701 0.831325
93 A4D 0.565789 0.786667
94 5CD 0.565789 0.773333
95 ATP A A A 0.565657 0.893333
96 A3P 0.564706 0.931507
97 7D5 0.5625 0.868421
98 PAP 0.561798 0.945205
99 MYR AMP 0.561224 0.809524
100 G5P 0.558824 0.886076
101 M2T 0.556962 0.707317
102 A A 0.556701 0.906667
103 9SN 0.555556 0.839506
104 G2P 0.553191 0.923077
105 7D3 0.552941 0.894737
106 UP5 0.552381 0.884615
107 TXD 0.552381 0.873418
108 JB6 0.55102 0.873418
109 2A5 0.550562 0.907895
110 FA5 0.55 0.896104
111 YAP 0.55 0.884615
112 B5Y 0.55 0.860759
113 B5M 0.55 0.860759
114 G3A 0.54902 0.886076
115 3AM 0.548781 0.891892
116 A2P 0.546512 0.917808
117 7D4 0.545455 0.894737
118 XAH 0.544554 0.853659
119 ATR 0.544444 0.931507
120 EP4 0.544304 0.725
121 AFH 0.543689 0.875
122 GA7 0.543689 0.896104
123 4UV 0.539216 0.860759
124 TYR AMP 0.539216 0.860759
125 GTA 0.538462 0.853659
126 DQV 0.538462 0.92
127 G5A 0.538462 0.772727
128 NAI 0.537736 0.873418
129 DTA 0.5375 0.779221
130 3DH 0.536585 0.74359
131 LAQ 0.533333 0.831325
132 AHZ 0.533333 0.788235
133 MTA 0.530864 0.74359
134 ARG AMP 0.528846 0.821429
135 4UU 0.528846 0.860759
136 7MD 0.528846 0.853659
137 AR6 AR6 0.528846 0.881579
138 48N 0.528302 0.886076
139 LPA AMP 0.528302 0.809524
140 ITT 0.52809 0.905405
141 AMP DBH 0.524272 0.858974
142 NAX 0.523364 0.864198
143 4UW 0.523364 0.829268
144 DND 0.523364 0.896104
145 NXX 0.523364 0.896104
146 6V0 0.523364 0.8625
147 IMO 0.523256 0.891892
148 A4P 0.522936 0.813953
149 HFD 0.521739 0.909091
150 A5A 0.521277 0.77907
151 TSB 0.520833 0.790698
152 TXE 0.518519 0.873418
153 OMR 0.518519 0.843373
154 2AM 0.518072 0.905405
155 6RE 0.517647 0.753086
156 S4M 0.517241 0.681818
157 V3L 0.516129 0.932432
158 SSA 0.515789 0.793103
159 YLP 0.514019 0.833333
160 AP0 0.513761 0.8625
161 UPA 0.513761 0.873418
162 139 0.513514 0.864198
163 T5A 0.513514 0.855422
164 PPS 0.510638 0.841463
165 VMS 0.510417 0.761364
166 A2R 0.510417 0.945946
167 54H 0.510417 0.761364
168 52H 0.510417 0.752809
169 CNA 0.508929 0.896104
170 ZAS 0.505882 0.7375
171 J7C 0.505747 0.7625
172 A3N 0.505747 0.75641
173 5X8 0.505495 0.75641
174 8X1 0.505155 0.747253
175 53H 0.505155 0.752809
176 5CA 0.505155 0.793103
177 TYM 0.504587 0.896104
178 AF3 ADP 3PG 0.504587 0.829268
179 IOT 0.504505 0.845238
180 80F 0.504348 0.833333
181 ADJ 0.5 0.843373
182 7MC 0.5 0.833333
183 AMP NAD 0.5 0.87013
184 OVE 0.5 0.87013
185 YLC 0.5 0.853659
186 YLB 0.5 0.833333
187 P5A 0.49505 0.758242
188 NSS 0.494949 0.793103
189 DSZ 0.494949 0.793103
190 LSS 0.494949 0.755556
191 6AD 0.494737 0.875
192 MAO 0.494382 0.77381
193 DSH 0.494253 0.740741
194 A3D 0.491379 0.883117
195 F2R 0.491228 0.855422
196 9K8 0.490196 0.691489
197 NVA LMS 0.49 0.747253
198 AV2 0.489583 0.881579
199 COD 0.486957 0.825581
200 4TA 0.486957 0.821429
201 NAD 0.486957 0.894737
202 YLA 0.486726 0.833333
203 LEU LMS 0.485149 0.747253
204 NA7 0.485149 0.972973
205 3AT 0.484211 0.958904
206 GJV 0.483146 0.743902
207 AYB 0.482456 0.823529
208 5AD 0.480519 0.716216
209 KAA 0.480392 0.766667
210 GSU 0.480392 0.772727
211 71V 0.477778 0.873418
212 A3G 0.477273 0.792208
213 7D7 0.474359 0.736842
214 G A A A 0.474138 0.839506
215 BTX 0.474138 0.855422
216 6C6 0.473684 0.896104
217 SFG 0.473118 0.766234
218 DAT 0.473118 0.92
219 YSA 0.471698 0.772727
220 PO4 PO4 A A A A PO4 0.470588 0.866667
221 BT5 0.470085 0.845238
222 AVV 0.47 0.910256
223 SMM 0.469388 0.701149
224 SAM 0.46875 0.705882
225 6IA 0.46875 0.829268
226 DTP 0.46875 0.92
227 A7D 0.467391 0.792208
228 M24 0.466667 0.819277
229 SA8 0.463158 0.722892
230 A5D 0.463158 0.779221
231 NAE 0.46281 0.860759
232 MHZ 0.462366 0.712644
233 PGS 0.462366 0.85
234 8PZ 0.462264 0.793103
235 NAJ PZO 0.462185 0.817073
236 DA 0.460674 0.893333
237 D5M 0.460674 0.893333
238 NEC 0.460674 0.717949
239 EAD 0.459677 0.841463
240 2SA 0.459184 0.921053
241 NAQ 0.459016 0.839506
242 SAH 0.458333 0.759494
243 SAI 0.458333 0.75
244 Y3J 0.45679 0.697368
245 A A A 0.456311 0.92
246 AAM 0.455556 0.931507
247 6K6 0.455446 0.893333
248 ZID 0.455285 0.883117
249 S7M 0.454545 0.705882
250 YLY 0.454545 0.823529
251 4YB 0.454545 0.755556
252 AMZ 0.453488 0.88
253 C2R 0.453488 0.868421
254 A3S 0.451613 0.802632
255 Z5A 0.451613 0.772727
256 7DD 0.451613 0.945205
257 U A 0.45 0.873418
258 7C5 0.449541 0.7875
259 101 0.449438 0.868421
260 A G 0.449153 0.85
261 EEM 0.44898 0.705882
262 NAJ PYZ 0.447154 0.77907
263 N6P 0.446602 0.878378
264 ARU 0.446602 0.829268
265 AIR 0.445783 0.864865
266 U A G G 0.445378 0.85
267 P1H 0.445312 0.821429
268 NDE 0.445312 0.896104
269 N0B 0.443548 0.833333
270 A U 0.443478 0.8375
271 NIA 0.443182 0.792683
272 A3T 0.442105 0.789474
273 GEK 0.441176 0.753086
274 GP2 0.438776 0.923077
275 DDS 0.438776 0.868421
276 WSA 0.438596 0.781609
277 7DT 0.4375 0.945205
278 0WD 0.436975 0.886076
279 8BR 0.434783 0.871795
280 AAT 0.434343 0.722892
281 TXP 0.432203 0.886076
282 GGZ 0.431373 0.795181
283 NJP 0.428571 0.909091
284 A6D 0.428571 0.717647
285 FB0 0.427481 0.83908
286 NDC 0.427481 0.8625
287 649 0.426087 0.758242
288 7RA 0.423913 0.918919
289 NDP 0.423729 0.886076
290 0UM 0.423077 0.714286
291 8Q2 0.422414 0.766667
292 QQY 0.422222 0.78481
293 ACK 0.422222 0.826667
294 RGT 0.422018 0.921053
295 FDA 0.421053 0.825581
296 CC5 0.419753 0.808219
297 ANZ 0.419643 0.771084
298 62X 0.419048 0.681818
299 APU 0.418803 0.860759
300 6FA 0.41791 0.833333
301 128 0.417391 0.75
302 ODP 0.416667 0.875
303 3AD 0.416667 0.797297
304 TM1 0.416667 0.747126
305 K15 0.415094 0.697674
306 2BA 0.414894 0.878378
307 CMP 0.414894 0.864865
308 V1N 0.414414 0.881579
309 S8M 0.413462 0.775
310 7RP 0.413043 0.890411
311 2VA 0.412371 0.769231
312 12D 0.412281 0.758621
313 NPW 0.411765 0.876543
314 SFD 0.411765 0.729167
315 FAS 0.411765 0.843373
316 FAD 0.411765 0.843373
317 2FA 0.411765 0.782051
318 QQX 0.411111 0.775
319 62F 0.410072 0.853659
320 AS 0.408602 0.848101
321 FAI 0.408602 0.88
322 RMB 0.408602 0.837838
323 NZQ 0.408333 0.898734
324 GCP 0.407767 0.910256
325 SXZ 0.407407 0.72619
326 RP1 0.406593 0.810127
327 SP1 0.406593 0.810127
328 EO7 0.404255 0.761364
329 NVA 2AD 0.40404 0.753086
330 D3Y 0.403846 0.782051
331 KB1 0.40367 0.714286
332 A C A C 0.403226 0.817073
333 SLU 0.403226 0.744444
334 N01 0.403226 0.87013
335 G 0.402062 0.871795
336 5GP 0.402062 0.871795
337 XNP 0.401639 0.841463
338 NMN AMP PO4 0.401639 0.8375
339 DCA 0.4 0.837209
340 ETB 0.4 0.825581
341 FNK 0.4 0.797753
342 3D1 0.4 0.789474
343 3L1 0.4 0.789474
344 VRT 0.4 0.7625
345 SO8 0.4 0.759494
Ligand no: 2; Ligand: PH2; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 PH2 1 1
2 2PH 0.55 0.830769
3 44W 0.5 0.857143
4 ZSP 0.482143 0.852459
5 78H 0.477612 0.898305
6 HBI 0.464286 0.852459
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2QX0; Ligand: PH2; Similar sites found with APoc: 622
This union binding pocket(no: 1) in the query (biounit: 2qx0.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 4LRJ ANP None
2 5KO1 6UY None
3 1BYG STU None
4 3TAY MN0 None
5 5HCY 60D None
6 2ZHL NAG GAL GAL NAG None
7 2CJF RP4 None
8 5C1P ADP None
9 3N8K D1X None
10 2XB8 XNW None
11 3WG3 A2G GAL NAG FUC None
12 4JWJ SAH None
13 1PHK ATP None
14 3MWS 017 None
15 1VQ2 DDN None
16 4DFU QUE None
17 6GIN IR2 None
18 5AX9 4KT None
19 5EZU MYR None
20 4SGA ACE PRO ALA PRO PHE None
21 4B1M FRU FRU None
22 3S43 478 None
23 2Z6C FMN None
24 4RT1 C2E None
25 1MJH ATP None
26 4YHQ G10 None
27 1T9M FMN None
28 2R5V HHH None
29 4USF 6UI 1.25786
30 4BFM ANP 1.25786
31 3RE4 TO1 1.25786
32 1ZTH ADP 1.25786
33 4I94 ANP 1.25786
34 3KYF 5GP 5GP 1.25786
35 1ZP9 ATP 1.25786
36 6BSL EVV 1.25786
37 4W6Z 8ID 1.25786
38 5EKO N17 1.25786
39 6BSM E7D 1.25786
40 6CZ3 FLJ 1.88679
41 5C4L 4XR 1.88679
42 4GIM PSU 1.88679
43 3HAV ATP 1.88679
44 4K38 SAM 1.88679
45 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 1.88679
46 4LCN GNG 1.88679
47 4K37 SAM 1.88679
48 4L6C 0BT 1.88679
49 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 1.88679
50 4K39 SAM 1.88679
51 4YGF AZM 1.88679
52 3ORQ ADP 1.88679
53 2C49 ADN 1.88679
54 4P4T GDP 1.88679
55 5H2U 1N1 1.88679
56 3AMN CBK 1.88679
57 3AMN CBI 1.88679
58 5ENZ UDP 1.88679
59 6E8I PTR 1.88679
60 5EJL C2E 2.01613
61 1BHX ASP PHE GLU GLU ILE 2.04082
62 4FE2 ADP 2.51572
63 4GJ3 0XP 2.51572
64 3LXN MI1 2.51572
65 4E1Z 0MX 2.51572
66 4L3L 5FI 2.51572
67 5M06 ADP 2.51572
68 4YZN 4K5 2.51572
69 2YAK OSV 2.51572
70 6ES0 BW8 2.51572
71 4WNP 3RJ 2.51572
72 1U0A BGC BGC BGC BGC 2.51572
73 3KAL ADP 2.51572
74 3WB0 FEG 2.51572
75 5IM3 DTP 2.51572
76 2GJ8 ALF GDP 2.51572
77 3BIY 01K 2.51572
78 4YLZ LAT NAG GAL 2.61438
79 3MTX PGT 2.64901
80 3STK PLM 3.0303
81 2HKA C3S 3.07692
82 1EHI ADP 3.14465
83 6CMJ F6J 3.14465
84 2V58 LZJ 3.14465
85 5YK1 ANP 3.14465
86 4QMN DB8 3.14465
87 1VJY 460 3.14465
88 1Z2P I3S 3.14465
89 1Z2P ACP 3.14465
90 5E2N V14 3.14465
91 5LPZ ADP 3.14465
92 2ZV2 609 3.14465
93 4XBA 5GP 3.14465
94 4OAV ACP 3.14465
95 4XBA GMP 3.14465
96 4CJX 9L9 3.14465
97 1L3I SAH 3.14465
98 3BF1 ADP 3.14465
99 3BF1 PAU 3.14465
100 3APT FAD 3.14465
101 3BP1 GUN 3.14465
102 1CM8 ANP 3.14465
103 5C9P FUC 3.14465
104 4OH4 ANP 3.14465
105 5EXT ADP 3.14465
106 5LPB ADP 3.14465
107 4IAE 1DX 3.14465
108 2EQA AMP 3.14465
109 3BFV ADP 3.14465
110 2PTZ PAH 3.14465
111 1AV5 AP2 3.1746
112 5HA0 LTD 3.20513
113 3HCH RSM 3.42466
114 5RHN 8BR 3.47826
115 2PUL ACP 3.77358
116 1IA9 ANP 3.77358
117 4NM5 ADP 3.77358
118 3ZRM ZRM 3.77358
119 4Y0X ADP 3.77358
120 3UDZ ADP 3.77358
121 5EQY 5RA 3.77358
122 2JLD AG1 3.77358
123 3F7Z 34O 3.77358
124 3AKK ADP 3.77358
125 4UXL 5P8 3.77358
126 5ODT ADP 3.77358
127 3LXK MI1 3.77358
128 2QF7 AGS 3.77358
129 2Z7R STU 3.77358
130 1Q8Y ADE 3.77358
131 3C0G 3AM 3.77358
132 4NW6 2NS 3.77358
133 3RI1 3RH 3.77358
134 5NKB 8ZT 3.77358
135 2Q7D ANP 3.77358
136 4EUE NAI 3.77358
137 4UAL 3FV 3.77358
138 3MVH WFE 3.77358
139 4QTB 38Z 3.77358
140 1Q8Y ADP 3.77358
141 4XH0 ADP 3.77358
142 2PVF ACP 3.77358
143 4RD0 GDP 3.77358
144 1BZL GCG 3.77358
145 2B9F ADP 3.77358
146 3BL7 DD1 3.77358
147 3ZS7 ATP 3.77358
148 6G0X RAM GLC GLA NAG NDG NAG 3.77358
149 5JLB SAH 3.77358
150 5QIN J2V 3.77358
151 4AT0 FAD 3.77358
152 1ST0 GTG 3.77358
153 3SRV S19 3.77358
154 1M13 HYF 3.77358
155 2B9H ADP 3.77358
156 4FMU 0UM 3.77358
157 6I6R H62 3.77358
158 2B9J ADP 3.77358
159 2B9I ADP 3.77358
160 5EQU 5R6 3.77358
161 1O9U ADZ 3.77358
162 3ETH ATP 3.77358
163 5M4Q PRO 3.77358
164 6I6X H6B 3.77358
165 5XDT MB3 3.77358
166 5XDT GDP 3.77358
167 1U5R ATP 3.77358
168 3GNE FLC 3.77358
169 1I7L ATP 3.77358
170 5TT6 ATP 3.77358
171 2R7K ACP 3.77358
172 2R7K AMZ 3.77358
173 4XQC 13D 3.77358
174 4XQC NAD 3.77358
175 5Z46 8XL 3.77358
176 1ERB ETR 3.77358
177 4KIB SAH 3.77358
178 1S20 NAD 3.82353
179 4INI AMP 3.84615
180 3N1S 5GP 4.20168
181 5LI1 ANP 4.40252
182 6GQM F8H 4.40252
183 4ASE AV9 4.40252
184 4AG8 AXI 4.40252
185 4XV1 904 4.40252
186 3W0O HY0 4.40252
187 3W0O ADP 4.40252
188 3BZ3 YAM 4.40252
189 2BPM 529 4.40252
190 6BXI ANP 4.40252
191 4DC2 ADE 4.40252
192 3PE2 E1B 4.40252
193 3VHE 42Q 4.40252
194 4C2W ANP 4.40252
195 5LMK 6ZK 4.40252
196 3E7O 35F 4.40252
197 4C2V YJA 4.40252
198 4CQE CQE 4.40252
199 5YF9 NIO 4.40252
200 4NZN 2OU 4.40252
201 4NZN ANP 4.40252
202 5EYK 5U5 4.40252
203 2PVN P63 4.40252
204 5LI9 ACP 4.40252
205 4CLI 5P8 4.40252
206 4EUU BX7 4.40252
207 3VOT ADP 4.40252
208 4WW8 VD9 4.40252
209 4G17 0VN 4.40252
210 5GZ9 ANP 4.40252
211 4BCM T7Z 4.40252
212 4BCN T9N 4.40252
213 3ORK AGS 4.40252
214 5OLK DTP 4.40252
215 4IAW LIZ 4.40252
216 2A1L PCW 4.40252
217 1U59 STU 4.40252
218 3TXO 07U 4.40252
219 4QDC ASD 4.40252
220 6GZD LCI 4.40252
221 3PFG SAM 4.40252
222 3PFG TLO 4.40252
223 4KBA 1QM 4.40252
224 2XVD AS6 4.40252
225 2RFZ CTR 4.40252
226 4BCQ TJF 4.40252
227 2R3A SAM 4.40252
228 5W4W 9WG 4.40252
229 6EZ6 C5Z 4.40252
230 2XN2 GLA 4.40252
231 2C78 GNP 4.40252
232 5AE9 OKO 4.40252
233 5OKT 9XK 4.40252
234 2P2V CSF 4.40252
235 6G34 5ID 4.40252
236 5TH5 7C5 4.40252
237 6F3G CJN 4.40678
238 2X34 UQ8 4.97238
239 4A4X JUP 5.03145
240 5XVG 8FX 5.03145
241 1TQP ATP 5.03145
242 3E8N ATP 5.03145
243 3E8N VRA 5.03145
244 1W2D ADP 5.03145
245 3X01 AMP 5.03145
246 1W2D 4IP 5.03145
247 5JKG 6LF 5.03145
248 3TKI S25 5.03145
249 2V7O DRN 5.03145
250 4MNS 2AX 5.03145
251 2HY0 306 5.03145
252 6CGD GNP 5.03145
253 6CGD AKN 5.03145
254 2Y6O 1N1 5.03145
255 6C0T EE4 5.03145
256 5HES 032 5.03145
257 2PZI AXX 5.03145
258 4OTH DRN 5.03145
259 4TWP AXI 5.03145
260 4IZY 1J2 5.03145
261 4Y93 746 5.03145
262 4AT3 LTI 5.03145
263 3TII ANP 5.03145
264 4WB7 ATP 5.03145
265 4CYI ATP 5.03145
266 2YAB AMP 5.03145
267 5UR1 YY9 5.03145
268 3SLS ANP 5.03145
269 1QIN GIP 5.03145
270 4ONA UW1 5.03145
271 3Q60 ATP 5.03145
272 3GQI ACP 5.03145
273 4UX9 ANP 5.03145
274 2WET FAD 5.03145
275 2XD9 XD9 5.03145
276 4PNI KQQ 5.03145
277 1DJX I3P 5.03145
278 1OBD ATP 5.03145
279 3VPD ANP 5.03145
280 4C5N ACP 5.03145
281 4C5N PXL 5.03145
282 1Y0G 8PP 5.03145
283 2VZ6 FEF 5.03145
284 5V22 SAH 5.03145
285 1AUX AGS 5.03145
286 4Z87 GDP 5.03145
287 1PK8 ATP 5.03145
288 5O4J SAH 5.03145
289 5O4J 9KH 5.03145
290 3DLS ADP 5.03145
291 2QLU ADE 5.03145
292 4UWH JXM 5.03145
293 6AC9 ANP 5.03145
294 5J1J ANP 5.03145
295 2J7T 274 5.03145
296 3TDV GDP 5.03145
297 4YNM SAM 5.03145
298 4L9I 8PR 5.03145
299 1BOB ACO 5.03145
300 2I8T GDD 5.03145
301 3T1A 5MA 5.03145
302 5K2M ADP 5.03145
303 3H22 B53 5.03145
304 1TZD ADP 5.03145
305 2JKY 5GP 5.16432
306 5OES ADP 5.66038
307 5VC5 96M 5.66038
308 5IH9 6BF 5.66038
309 3PLS ANP 5.66038
310 3V4S ATP 5.66038
311 1ZY5 ANP 5.66038
312 1IOW PHY 5.66038
313 1IOW ADP 5.66038
314 4GYI ADP 5.66038
315 5ABH YWN 5.66038
316 2XK9 XK9 5.66038
317 6FYL 3NG 5.66038
318 4FL3 ANP 5.66038
319 2FB3 5AD 5.66038
320 2FB3 GTP 5.66038
321 5DZT AMP 5.66038
322 3V4S ADP 5.66038
323 3WYA GDP 5.66038
324 1J3R 6PG 5.66038
325 2FB3 MET 5.66038
326 6CQF F97 5.66038
327 2RIO ADP 5.66038
328 6EWZ GTP 5.66038
329 1VA6 ADP 5.66038
330 2WU6 DKI 5.66038
331 4K33 ACP 5.66038
332 3WY9 GDP 5.66038
333 4WNK 453 5.66038
334 4PU5 ANP 5.66038
335 1VA6 P2S 5.66038
336 1OIK C26 5.66038
337 6EJI UD2 5.66038
338 1FP6 ADP 5.66038
339 6GG9 FMN 5.66038
340 2RIF AMP 5.67376
341 5DBX ANP 6.28931
342 3SXS PP2 6.28931
343 3HZT J60 6.28931
344 5EH0 5NW 6.28931
345 4P5Z Q7M 6.28931
346 3VRY B43 6.28931
347 2OFV 242 6.28931
348 4EWH T77 6.28931
349 3T7S SAM 6.28931
350 2HK5 1BM 6.28931
351 3UIM ANP 6.28931
352 2X2M X2M 6.28931
353 4AZW ATP 6.28931
354 4LAE NAP 6.28931
355 4LAE 1VM 6.28931
356 1GSA ADP 6.28931
357 3C6K MTA 6.28931
358 3C6K SPD 6.28931
359 4CRL C1I 6.28931
360 3PN1 IVH 6.28931
361 2QE0 NAP 6.28931
362 1P6O HPY 6.28931
363 1D2E GDP 6.28931
364 1P3D ANP 6.28931
365 5TWJ SAM 6.28931
366 3H9R TAK 6.42202
367 5KHD C2E 6.59341
368 5T8O 76Z 6.91824
369 4F9C 0SX 6.91824
370 5A6N U7E 6.91824
371 5JZJ AN2 6.91824
372 4YDQ HFG 6.91824
373 4YDQ ANP 6.91824
374 3C1X CKK 6.91824
375 1UNH IXM 6.91824
376 5WNL STU 6.91824
377 5FIT AP2 6.91824
378 3O0G 3O0 6.91824
379 5FBN 5WF 6.91824
380 5TC4 L34 6.91824
381 5JFS 6K0 6.91824
382 5ZM4 AKG 6.91824
383 5ZM4 9FU 6.91824
384 1S68 AMP 6.91824
385 3KN5 ANP 6.91824
386 2QK4 ATP 6.91824
387 1ZM1 BGC BGC BGC 6.91824
388 4AU8 Z3R 6.91824
389 3WVR AMP 6.91824
390 3E9I XAH 6.91824
391 1PFY MSP 6.91824
392 1GP6 DH2 6.91824
393 1GP6 SIN 6.91824
394 3RFA SAM 6.91824
395 3VQ2 LP4 LP5 MYR DAO 6.94444
396 4WN5 MVC 6.95652
397 5MW8 ATP 7.54717
398 4KS7 X4Z 7.54717
399 2PYW ADP 7.54717
400 4WW7 AMP 7.54717
401 2F57 23D 7.54717
402 6E2O S0L 7.54717
403 6GWR FEW 7.54717
404 5Y80 IRE 7.54717
405 4BHN BH9 7.54717
406 5NJI 8Z2 7.54717
407 5DEY 59T 7.54717
408 4IDT T28 7.54717
409 1M0W ANP 7.54717
410 5TO8 7FM 7.54717
411 2YW2 ATP 7.54717
412 2VQD AP2 7.54717
413 5USZ SKE 7.54717
414 1WPY BTN 7.54717
415 3TM0 ANP 7.54717
416 3TM0 B31 7.54717
417 4XZ3 ACP 7.54717
418 1SQF SAM 7.54717
419 5ZCT ANP 7.54717
420 3T34 GDP 7.54717
421 2DXU BT5 7.54717
422 4NFN 2KC 7.54717
423 4BTK DTQ 7.54717
424 3UA1 08Y 7.54717
425 2IV2 2MD 7.54717
426 3ZBQ GDP 7.54717
427 4XYM A12 7.54717
428 5DH3 5BS 7.61905
429 2E56 MYR 7.63889
430 5G1X ADP 7.93651
431 3EM0 CHD 7.97101
432 2GQS ADP 8.1761
433 2GQR ADP 8.1761
434 5HVJ ANP 8.1761
435 4OCJ NDG 8.1761
436 5LVP ATP 8.1761
437 2QCS ANP 8.1761
438 5MY8 RXZ 8.1761
439 5COU ATP 8.1761
440 4G31 0WH 8.1761
441 4OCV ANP 8.1761
442 2A19 ANP 8.1761
443 3RWP ABQ 8.1761
444 4JR7 GNP 8.1761
445 4CSV STI 8.1761
446 4FG8 ATP 8.1761
447 3GC0 AMP 8.1761
448 1OLT SAM 8.1761
449 4MV1 ADP 8.1761
450 5NBP BGC BGC BGC 8.1761
451 2VPQ ANP 8.1761
452 2EV9 NAP 8.1761
453 2EV9 SKM 8.1761
454 5O96 SAM 8.1761
455 1OFD FMN 8.1761
456 4Y85 499 8.1761
457 4GN8 ASO 8.1761
458 2H7C SIA 8.1761
459 1H74 ADP 8.1761
460 1RE8 BD2 8.80503
461 1TT8 PHB 8.80503
462 4M26 SIN 8.80503
463 4M26 ZZU 8.80503
464 3IDB ANP 8.80503
465 3FHI ANP 8.80503
466 4WB6 ATP 8.80503
467 2GU8 796 8.80503
468 6A1G 9OL 8.80503
469 5U6C 7YS 8.80503
470 3NW7 LGV 8.80503
471 4LOO SB4 8.80503
472 1K3A ACP 8.80503
473 1EZ0 NAP 8.80503
474 5UKL SIX 8.80503
475 4XOQ F42 8.80503
476 2ZIF SAM 8.80503
477 5WS9 AMP 8.80503
478 3U4L ATP 8.80503
479 2FR6 URI 8.90411
480 2FR6 CTN 8.90411
481 1OPK P16 9.43396
482 3KMW ATP 9.43396
483 3EKK GS2 9.43396
484 3GGF GVD 9.43396
485 5UI2 SUC 9.43396
486 5TDF ADP 9.43396
487 2WQN ADP 9.43396
488 3AB4 THR 9.43396
489 2NYA MGD 9.43396
490 3BU5 ATP 9.43396
491 5TT5 NAD 9.43396
492 5V7P SAH 9.47368
493 4ZS4 ATP 10.0629
494 1XJD STU 10.0629
495 3PDT ADP 10.0629
496 5CKW ANP 10.0629
497 5VCV 1N1 10.0629
498 5IXH OTP 10.0629
499 5X8I SQZ 10.0629
500 1V0O INR 10.0629
501 2YG2 S1P 10.0629
502 1IR3 ANP 10.0629
503 5DXI TRE 10.0629
504 5FNU L6I 10.0629
505 6G33 5ID 10.0629
506 4ITH RCM 10.0629
507 2CYE COA 10.5263
508 2CM4 RCL 10.6667
509 1Y57 MPZ 10.6918
510 3G5D 1N1 10.6918
511 3ZQ6 ADP ALF 10.6918
512 2H8H H8H 10.6918
513 5Y0T TAT 10.6918
514 5VZ0 ADP 10.6918
515 3ALN ANP 10.6918
516 4CC6 L5Y 10.6918
517 1UU6 BGC BGC BGC BGC 10.6918
518 2DTJ THR 10.6918
519 3COW 52H 10.6918
520 5JGA 6KC 10.6918
521 1JGU HBC 10.6918
522 2NX1 RP5 10.6918
523 2NX1 PEP 10.6918
524 5C3R HMU 10.6918
525 5C3R AKG 10.6918
526 2Z3H BLO 10.7692
527 3A6T 8OG 10.8527
528 5EQ0 5R0 PHE ALA LEU ELY 5R5 10.9091
529 5TBM 79A 11.1111
530 5JAQ NAI 11.3208
531 4Y8D 49J 11.3208
532 4U98 ACP 11.3208
533 1JPA ANP 11.3208
534 4H2V AMP 11.3208
535 2R5T ANP 11.3208
536 3MF2 AMP 11.3208
537 2F2U M77 11.3208
538 5KD6 LBU 11.3208
539 5KD6 6C7 11.3208
540 3KLL MAL 11.3208
541 3O2Q PRO THR SEP PRO SER TYR 11.3208
542 5MJA 7O3 11.3208
543 4O1P ANP 11.9497
544 4WUP 3UF 11.9497
545 2BKK ADP 11.9497
546 5AWM ANP 11.9497
547 1O94 AMP 11.9497
548 4U0I 0LI 12.5786
549 3TTI KBI 12.5786
550 3PTG 932 12.5786
551 4MZQ 1VU 13.1944
552 5C03 AGS 13.2075
553 3GC8 B45 13.2075
554 4CFU 2WC 13.2075
555 3DNT ATP 13.2075
556 6GUE FB8 13.2075
557 4NJH 2K8 13.2075
558 4NJH SAM 13.2075
559 5I35 ANP 13.8365
560 3GNI ATP 13.8365
561 5Y86 HRM 13.8365
562 3M2W L8I 13.8365
563 1S7G NAD 13.8365
564 4RDL FUC GAL NDG FUC 13.8365
565 4H3P ANP 13.8365
566 4H3Q ANP 13.8365
567 1X7D ORN 13.8365
568 3HMO STU 14.0351
569 5XLY C2E 14.2857
570 4M69 ANP 14.4654
571 3DAK ANP 14.4654
572 4E93 GUI 14.4654
573 2PID YSA 14.4654
574 3PVW QRX 14.4654
575 2VFT SOR 14.4654
576 5UPK ANP 14.5833
577 4EN4 ATP 15.0943
578 4EN4 GT1 15.0943
579 4EN4 GT0 15.0943
580 2CSN CKI 15.0943
581 5N87 N66 15.3355
582 2VN9 GVD 15.7233
583 2WEL K88 15.7233
584 5A3T MMK 15.7233
585 4YMJ 4EJ 16.3522
586 2HGS ADP 16.3522
587 4AUA 4AU 16.3522
588 1T36 ADP 16.3522
589 5K8P 6R8 16.3522
590 4I6H 1C8 16.3522
591 1DZK PRZ 16.5605
592 5L0U 660 16.6667
593 6FL8 ADP 16.9811
594 6FL8 TIY 16.9811
595 4ORR PE3 16.9811
596 5LXT ACP 16.9811
597 6FYV 3NG 16.9811
598 4UUW AMP 16.9811
599 4Q5H ANP 17.1053
600 3KRL KRL 17.6101
601 3VPB ADP 17.6101
602 3VPC ADP 17.6101
603 1KJ8 GAR 18.239
604 1KJ8 ATP 18.239
605 5DX9 T6P 18.239
606 2ZSH GA3 18.239
607 5ZTN CUR 18.8679
608 5X20 NAD 18.8679
609 3RIY NAD 19.4969
610 3E5A VX6 20.4545
611 5CEO 50D 21.3836
612 6GU6 1QK 21.4286
613 5HQ0 LZ9 21.4286
614 5VLQ ANP 22.0126
615 5WO4 B7V 23.2704
616 6C7Y ADP 23.2704
617 5LXM ADP 23.6842
618 4RFR RHN 24.5283
619 1CTU ZEB 25.1572
620 3V8S 0HD 25.7862
621 1E4E ADP 25.7862
622 3PP0 03Q 28.9308
Pocket No.: 2; Query (leader) PDB : 2QX0; Ligand: APC; Similar sites found with APoc: 56
This union binding pocket(no: 2) in the query (biounit: 2qx0.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 3WH2 FLC None
2 5G6U YJM None
3 3P7G MAN None
4 2OFE NAG None
5 2OFD NGA None
6 6BJO DUY None
7 1MRH FMC None
8 4Z2S NDG 1.40845
9 4Z2S NAG 1.40845
10 2ATJ BHO 1.88679
11 1RDL MMA 2.65487
12 5KTI TRE 6X6 2.68456
13 5JQ1 ZPF 2.75862
14 4KZV TRE 2.98507
15 1JF0 CZH 3.14465
16 4WQQ MAN 3.5461
17 1ELI PYC 3.77358
18 5C5H 4YB 3.77358
19 4DN8 BMA 3.84615
20 1Y2W NAG 4.22535
21 2OX9 GAL NAG FUC 4.28571
22 3KU0 ADE 4.40252
23 2QES ADE 4.40252
24 4ZES MMA 4.7619
25 3QDW NDG 4.8951
26 3QDY CBS 4.8951
27 3QDV NDG 4.8951
28 3QDX CBS 4.8951
29 3QDU CBS CBS 4.8951
30 2D3Y DU 5.03145
31 5Z3I ADE 5.03145
32 4N14 WR7 5.03145
33 1QCI ADE 5.03145
34 1VRP IOM 5.03145
35 1U6R IOM 5.03145
36 1JZN BGC GAL 5.18518
37 1PWB GLC 5.66038
38 1PWB GLC GLC 5.66038
39 3LN0 52B 5.66038
40 3W2E FAD 5.66038
41 3W2E NAD 5.66038
42 1BCJ NGA 5.84416
43 3HIW C2X 6.28931
44 1Q19 APC 6.28931
45 5A04 BGC 6.91824
46 1J1R ADE 7.54717
47 3LE7 ADE 7.54717
48 1M2T ADE 8.1761
49 4DYG MES 8.1761
50 2VPY PCI 8.1761
51 5JWC FAD 8.1761
52 2MSB NAG BMA MAN MAN MAN MAN MAN 8.69565
53 2GGX NPJ 8.80503
54 4JLS 3ZE 13.1579
55 3ALT MLB 13.3758
56 1SL6 GAL NDG FUC 15.0943
Pocket No.: 3; Query (leader) PDB : 2QX0; Ligand: APC; Similar sites found with APoc: 4
This union binding pocket(no: 3) in the query (biounit: 2qx0.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1QV1 CZH 3.14465
2 4C2C ALA ALA ALA 3.77358
3 1TLG GAL 4.8
4 1G1T SIA GAL MAG FUC 5.73248
Pocket No.: 4; Query (leader) PDB : 2QX0; Ligand: PH2; Similar sites found with APoc: 45
This union binding pocket(no: 4) in the query (biounit: 2qx0.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1HPG BOC ALA ALA PRO GLU None
2 5EFW FMN None
3 4M20 COA None
4 2GJ5 VD3 None
5 5SVV FMN None
6 1LFO OLA None
7 2D37 FMN None
8 3E2M E2M 1.25786
9 5FLJ QUE 1.88679
10 4AVB CMP 1.88679
11 5VYH FOL 2.51572
12 2Z9C DTC 3.14465
13 1XDN ATP 3.14465
14 2Z9C FMN 3.14465
15 4WUJ FMN 3.40136
16 4MDH NAD 3.77358
17 1TYU GLA MAN RAM TYV GLA MAN RAM TYV 3.77358
18 5T7I LAT NAG GAL 3.87097
19 3RGA LSB 4.40252
20 2YFO GLA 5.03145
21 2YFO GAL 5.03145
22 1BAI 0Q4 5.64516
23 2A5F GTP 5.66038
24 1UW1 ADP 6.25
25 4TWL ASC 6.28931
26 1OVD FMN 6.91824
27 1OVD ORO 6.91824
28 5L8L ADP 6.91824
29 5Y72 DST 6.91824
30 4OAG ADP 8.1761
31 5BV3 M7G 10.0629
32 3OIX FMN 10.6918
33 4ZDC CO8 11.9497
34 1YBQ BDH 12.5786
35 4S3R 7SA 12.5786
36 2RHQ GAX 14.4654
37 6E2B PT7 14.4737
38 2GC0 PAN 15.7233
39 2YIC TPP 16.3522
40 3MJY FMN 19.4969
41 3MJY IJZ 19.4969
42 2J3M PRI 19.4969
43 3TPV ADE 22.0126
44 5TA6 79D 22.6415
45 1CKM GTP 22.6415
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