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Receptor
PDB id Resolution Class Description Source Keywords
1CBK 2.02 Å EC: 2.-.-.- 7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE FROM HAEMOPHILUS INFLUENZAE HAEMOPHILUS INFLUENZAE PYROPHOSPHOKINASE TRANSFERASE
Ref.: THE STRUCTURE AND FUNCTION OF THE 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE FROM HAEMOPHILUS INFLUENZAE. J.MOL.BIOL. V. 287 211 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ROI A:601;
B:602;
Valid;
Valid;
none;
none;
submit data
209.205 C8 H11 N5 O2 CC1(C...
SO4 A:501;
B:502;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1CBK 2.02 Å EC: 2.-.-.- 7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE FROM HAEMOPHILUS INFLUENZAE HAEMOPHILUS INFLUENZAE PYROPHOSPHOKINASE TRANSFERASE
Ref.: THE STRUCTURE AND FUNCTION OF THE 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE FROM HAEMOPHILUS INFLUENZAE. J.MOL.BIOL. V. 287 211 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 1CBK - ROI C8 H11 N5 O2 CC1(C(=NC2....
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: ROI; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 ROI 1 1
2 WSD 0.5625 0.910714
3 WS7 0.433333 0.723077
4 WS6 0.42623 0.716418
5 44W 0.411765 0.762712
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1CBK; Ligand: ROI; Similar sites found with APoc: 410
This union binding pocket(no: 1) in the query (biounit: 1cbk.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5FBN 5WF None
2 3DAK ANP None
3 3ALN ANP None
4 4CL6 7SB None
5 1WN3 HXC None
6 4TWP AXI None
7 5A89 ADP None
8 5A89 FMN None
9 4WNP 3RJ None
10 2D7C GTP None
11 1GSA ADP None
12 2HV8 GTP None
13 2ZHL NAG GAL GAL NAG None
14 6F5W KG1 None
15 6CQF F97 1.25
16 1JBU BEN 1.25
17 4OTH DRN 1.25
18 3N8K D1X 1.25
19 4C4P GNP 1.86916
20 3SXS PP2 1.875
21 3EKK GS2 1.875
22 2V7O DRN 1.875
23 3T2C 13P 1.875
24 6FYL 3NG 1.875
25 3TM0 ANP 1.875
26 3TM0 B31 1.875
27 1IR3 ANP 1.875
28 6C0T EE4 1.875
29 5UI2 SUC 1.875
30 1OBD ATP 1.875
31 2QE0 NAP 1.875
32 1TMT DPN PRO ARG 1.875
33 3VXE DPN PRO ARG 1.875
34 4LCN GNG 2.5
35 4MV1 ADP 2.5
36 3TXO 07U 2.5
37 5JGA 6KC 2.5
38 4IV9 FAD 2.5
39 4EUE NAI 2.5
40 3COW 52H 2.5
41 4JGP PYR 2.5
42 5JZJ AN2 2.5
43 3PLS ANP 2.5
44 1V9A SAH 2.5
45 1PHK ATP 3.125
46 4L3L 5FI 3.125
47 3NW7 LGV 3.125
48 3V8S 0HD 3.125
49 5JAQ NAI 3.125
50 2A5F GTP 3.125
51 4GJ3 0XP 3.125
52 6AC9 ANP 3.125
53 5DRB 5FJ 3.125
54 1IOW ADP 3.125
55 1IOW PHY 3.125
56 4H3P ANP 3.125
57 4FE2 ADP 3.125
58 4E1Z 0MX 3.125
59 1K3A ACP 3.125
60 4H3Q ANP 3.125
61 5LPZ ADP 3.125
62 4WNK 453 3.125
63 4EUU BX7 3.125
64 3VPD ANP 3.125
65 4KAX GTP 3.125
66 4OH4 ANP 3.125
67 2F2U M77 3.125
68 5EE5 GTP 3.125
69 5C1P DAL DAL 3.26797
70 5C1P ADP 3.26797
71 4XH0 ADP 3.75
72 5EW9 5VC 3.75
73 4M26 SIN 3.75
74 4M26 ZZU 3.75
75 2YAK OSV 3.75
76 3KLL MAL 3.75
77 5JKG 6LF 3.75
78 3E5A VX6 3.75
79 4I94 ANP 3.75
80 4ONA UW1 3.75
81 5DBX ANP 3.75
82 4E93 GUI 3.75
83 2VPQ ANP 3.75
84 1V2X SAM 3.75
85 3DNT ATP 3.75
86 5JFS 6K0 3.75
87 4ANP 3QI 3.75
88 2OFV 242 3.75
89 5VLQ ANP 3.75
90 3WVR AMP 3.75
91 5ODT ADP 3.75
92 2YW2 ATP 3.75
93 4Q5H ANP 3.94737
94 3N1S 5GP 4.20168
95 2RIF AMP 4.25532
96 4Y0X ADP 4.375
97 6A1G 9OL 4.375
98 6G34 5ID 4.375
99 6CZ3 FLJ 4.375
100 1V0O INR 4.375
101 2PZI AXX 4.375
102 5LI9 ACP 4.375
103 5LI1 ANP 4.375
104 5UR1 YY9 4.375
105 4MO2 FDA 4.375
106 4DC2 ADE 4.375
107 5UIU 8CG 4.375
108 4C5N ACP 4.375
109 4MO2 FAD 4.375
110 2X3F APC 4.375
111 4NW6 2NS 4.375
112 5G5G MCN 4.375
113 2V58 LZJ 4.375
114 5J60 FAD 4.375
115 1CTU ZEB 4.375
116 3SLS ANP 4.375
117 3C1X CKK 4.375
118 4GIM PSU 4.375
119 1JQ3 AAT 4.375
120 4OUC 5ID 4.375
121 3MJH GTP 4.375
122 1R2Q GNP 4.375
123 6F3G CJN 4.74576
124 2XK9 XK9 5
125 5XVG 8FX 5
126 3PE2 E1B 5
127 2YAB AMP 5
128 5A6N U7E 5
129 5MJA 7O3 5
130 1E4E ADP 5
131 2X2M X2M 5
132 3SRV S19 5
133 4KS7 X4Z 5
134 4WHZ 3NL 5
135 1UNH IXM 5
136 4O1P ANP 5
137 2ZL7 FUC GAL NGA 5
138 2QF7 AGS 5
139 3E7O 35F 5
140 4F4P 0SB 5
141 5TA6 79D 5
142 3KRL KRL 5
143 2BPM 529 5
144 4IZY 1J2 5
145 5HES 032 5
146 5EKO N17 5
147 4LX0 BEF GDP 5
148 4FL3 ANP 5
149 4UX9 ANP 5
150 3FC2 IBI 5
151 6C1S EFV 5
152 4X7Q 3YR 5
153 1EZ0 NAP 5
154 4D9M 0JO 5
155 1EK0 GNP 5
156 4XCZ FON 5
157 4XCZ T3Q 5
158 1Y79 GLY ASP 5
159 4J75 TYM 5
160 3TTI KBI 5
161 4IDT T28 5
162 2GFD RDA 5
163 3Q60 ATP 5
164 3O0G 3O0 5.36913
165 3UA1 08Y 5.625
166 6FYV 3NG 5.625
167 6BXI ANP 5.625
168 1JG3 ADN 5.625
169 4PNI KQQ 5.625
170 4CRL C1I 5.625
171 5Y86 HRM 5.625
172 5VCV 1N1 5.625
173 5QIN J2V 5.625
174 1XJD STU 5.625
175 4LOO SB4 5.625
176 4YZC STU 5.625
177 3GC8 B45 5.625
178 4UXL 5P8 5.625
179 6GWR FEW 5.625
180 4BTK DTQ 5.625
181 3GGF GVD 5.625
182 3HZT J60 5.625
183 5EYK 5U5 5.625
184 5B48 TDN 5.625
185 2A19 ANP 5.625
186 4FG8 ATP 5.625
187 4NFN 2KC 5.625
188 4BFM ANP 5.625
189 1T57 FMN 5.625
190 2PWY SAH 5.625
191 5O4J 9KH 5.625
192 5O4J SAH 5.625
193 2ZIF SAM 5.625
194 4C2V YJA 5.625
195 4C2W ANP 5.625
196 5DZT AMP 5.625
197 5O96 SAM 5.625
198 2BKK ADP 5.91716
199 3BP1 GUN 6.25
200 3VHE 42Q 6.25
201 4IJP 1EH 6.25
202 4M69 ANP 6.25
203 2GQS ADP 6.25
204 6E8I PTR 6.25
205 2PVN P63 6.25
206 5WS9 AMP 6.25
207 5UPK ANP 6.25
208 5Y6Q MCN 6.25
209 5EFQ ADP 6.25
210 5VC5 96M 6.25
211 5OES ADP 6.25
212 5Y80 IRE 6.25
213 3DLS ADP 6.25
214 1P7L SAM 6.25
215 1P7L PPK 6.25
216 5IM3 DTP 6.25
217 3RE4 TO1 6.875
218 2HK5 1BM 6.875
219 5CKW ANP 6.875
220 4QTB 38Z 6.875
221 2XVD AS6 6.875
222 4CLI 5P8 6.875
223 3K5I AIR 6.875
224 4WB7 ATP 6.875
225 2Z7R STU 6.875
226 2R5T ANP 6.875
227 4OAV ACP 6.875
228 3ZQ6 ADP ALF 6.875
229 3K5I ADP 6.875
230 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 6.95652
231 2B9H ADP 7.5
232 2B9F ADP 7.5
233 2B9J ADP 7.5
234 1IA9 ANP 7.5
235 3TII ANP 7.5
236 4U98 ACP 7.5
237 1U1I NAD 7.5
238 3PP0 03Q 7.5
239 3UIM ANP 7.5
240 3OJF NDP 7.5
241 1I1N SAH 7.5
242 2YIC TPP 7.5
243 4XZ3 ACP 7.5
244 1YQC GLV 7.64706
245 4JH6 FCN 7.97101
246 5HVJ ANP 8.125
247 6CMJ F6J 8.125
248 2F57 23D 8.125
249 2VN9 GVD 8.125
250 4UAL 3FV 8.125
251 1BYG STU 8.125
252 2VQD AP2 8.125
253 2VZ6 FEF 8.125
254 2RIO ADP 8.125
255 1VQ2 DDN 8.125
256 5OLK DTP 8.125
257 2WEL K88 8.125
258 5MY8 RXZ 8.75
259 4LRJ ANP 8.75
260 5I35 ANP 8.75
261 3HRD MCN 8.75
262 4EN4 GT1 8.75
263 4EN4 GT0 8.75
264 4EN4 ATP 8.75
265 3VPB ADP 8.75
266 5YF9 NIO 8.75
267 3H9R TAK 8.75
268 5IH9 6BF 8.75
269 4EWH T77 8.75
270 4JR7 GNP 8.75
271 3VPC ADP 8.75
272 4NST ADP 8.75
273 1P6O HPY 8.75
274 3BK2 U5P 8.75
275 4NJH 2K8 8.75
276 4NJH SAM 8.75
277 3UDZ ADP 9.375
278 5X8I SQZ 9.375
279 1VJY 460 9.375
280 6ES0 BW8 9.375
281 6G33 5ID 9.375
282 1M0W ANP 9.375
283 5ZCT ANP 9.375
284 6CGD AKN 9.375
285 6CGD GNP 9.375
286 4Y85 499 9.375
287 5WNL STU 9.375
288 1OPK P16 10
289 4U0I 0LI 10
290 3FHR P4O 10
291 5N87 N66 10
292 3HMO STU 10
293 1N62 MCN 10
294 1N07 FMN 10
295 6EZ6 C5Z 10
296 4TW7 37K 10.1562
297 2FR6 CTN 10.274
298 5CEO 50D 10.625
299 4Y8D 49J 10.625
300 5T8O 76Z 10.625
301 3AYI HCI 10.625
302 3AYI FAD 10.625
303 4XV1 904 10.625
304 6GUE FB8 10.625
305 5H2U 1N1 10.625
306 5ZTN CUR 10.625
307 5YK1 ANP 10.625
308 4CQE CQE 10.625
309 3M2W L8I 10.625
310 4BCM T7Z 10.625
311 5DMZ ADP 10.625
312 6BFN DL1 10.625
313 3AMN CBK 10.625
314 3AMN CBI 10.625
315 4CFU 2WC 10.625
316 4WW7 AMP 11.25
317 3G5D 1N1 11.25
318 2PYW ADP 11.25
319 2JLD AG1 11.25
320 3ZRM ZRM 11.25
321 4A4X JUP 11.25
322 3VRY B43 11.25
323 6GZD LCI 11.25
324 3K7M FAD 11.25
325 2CSN CKI 11.25
326 3F7Z 34O 11.25
327 1Y57 MPZ 11.25
328 3V4S ATP 11.25
329 4NM5 ADP 11.25
330 5WO4 B7V 11.25
331 1U59 STU 11.25
332 1T36 ADP 11.25
333 5U6C 7YS 11.25
334 3V4S ADP 11.25
335 5UKL SIX 11.25
336 3PVW QRX 11.25
337 1GP6 QUE 11.25
338 1GP6 SIN 11.25
339 1GP6 DH2 11.25
340 2CM4 RCL 11.3333
341 2W83 GTP 11.6883
342 5W4W 9WG 11.875
343 4KBA 1QM 11.875
344 4OCJ NDG 11.875
345 2H8H H8H 11.875
346 2WU6 DKI 11.875
347 5OKT 9XK 11.875
348 5M06 ADP 11.875
349 6GIN IR2 11.875
350 5HQ0 LZ9 11.9048
351 6GU6 1QK 11.9048
352 5V3D FCN 12.4138
353 2Q4H AMP 12.5
354 3C0G 3AM 12.5
355 4Z87 GDP 12.5
356 5WB6 9ZM 12.5
357 2AQX ATP 12.5
358 4G17 0VN 13.125
359 4P5Z Q7M 13.125
360 6GQM F8H 13.125
361 5LXT ACP 13.125
362 6E2O S0L 13.125
363 5LVP ATP 13.125
364 4CYI ATP 13.125
365 1W2D 4IP 13.75
366 2Y6O 1N1 13.75
367 1TZD ADP 13.75
368 3ETH ATP 13.75
369 1W2D ADP 13.75
370 4G31 0WH 14.375
371 2PUL ACP 15
372 1Q8Y ADP 15
373 1Q8Y ADE 15
374 4ZS4 ATP 15.625
375 3DCJ THH 15.625
376 4BHN BH9 15.625
377 1NBU PH2 15.9664
378 2GQR ADP 16.25
379 3X01 AMP 16.25
380 4ASE AV9 16.875
381 3TKI S25 16.875
382 2HY0 306 16.875
383 4AG8 AXI 16.875
384 4MOP 2H5 17.5
385 4UWH JXM 17.5
386 5DXT 5H5 17.5
387 2CYE COA 18.0451
388 3MVH WFE 18.125
389 5XDT GDP 18.75
390 5XDT MB3 18.75
391 2DTJ THR 18.75
392 3AB4 THR 18.75
393 2ZV2 609 19.375
394 4OCV ANP 20
395 4YZN 4K5 20
396 5NJI 8Z2 20.625
397 5DEY 59T 21.875
398 5G1X ADP 22.2222
399 5C03 AGS 22.5
400 4WB6 ATP 23.125
401 1UPT GTP 23.3333
402 4F9C 0SX 24.375
403 2QCS ANP 25.625
404 2GU8 796 26.25
405 3IDB ANP 26.25
406 3FHI ANP 26.25
407 2B9I ADP 28.5714
408 5NKB 8ZT 29.375
409 3W0O HY0 32.5
410 3W0O ADP 32.5
Pocket No.: 2; Query (leader) PDB : 1CBK; Ligand: ROI; Similar sites found with APoc: 45
This union binding pocket(no: 2) in the query (biounit: 1cbk.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3LQV ADE None
2 4RYV ZEA None
3 4RFM 3P6 None
4 4WOP CTP None
5 4IEN COA None
6 5F3I 5UJ 2.5
7 3ORQ ADP 2.5
8 5LPB ADP 3.125
9 3AKK ADP 3.125
10 4OHU NAD 3.75
11 4OHU 2TK 3.75
12 1GAR U89 3.75
13 1XFF GLU 4.375
14 1AUX AGS 4.375
15 6CFC BLG 4.375
16 4YMJ 4EJ 4.375
17 4UUU SAM 4.51613
18 3BZ3 YAM 5
19 5EB4 FAD 5
20 3RG9 NDP 5
21 5MW8 ATP 5.625
22 5EQY 5RA 5.625
23 3A6T 8OG 6.20155
24 5APG EEM 6.25
25 5E2N V14 6.875
26 4WGF HX2 7.5
27 5X9D 80F 8.125
28 3VQ2 LP4 LP5 MYR DAO 8.125
29 1G51 AMO 8.125
30 4AT3 LTI 8.125
31 2WQN ADP 8.125
32 1COY FAD 8.75
33 3CY2 MB9 8.75
34 2QV6 GTP 9.375
35 5L8L ADP 10.2564
36 5LMK 6ZK 10.625
37 4BCQ TJF 10.625
38 5HCY 60D 11.875
39 3KJS NAP 15.625
40 2WYA HMG 16.875
41 5XDT ZI7 18.75
42 1I8T FAD 20
43 4GN8 ASO 20.625
44 2HGS ADP 20.625
45 5EY9 5SV 21.25
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