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Receptor
PDB id Resolution Class Description Source Keywords
5G6U 1.84 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF LANGERIN CARBOHYDRATE RECOGNITION DOMAI GLCNS6S HOMO SAPIENS CARBOHYDRATE BINDING PROTEIN LANGERIN CD207 CLEC4K C-TYPLECTINS CLRS SULFATED CARBOHYDRATES
Ref.: RATIONAL-DIFFERENTIAL DESIGN OF HIGHLY SPECIFIC GLY LIGANDS: TARGETING DC-SIGN AND EXCLUDING LANGERIN RECOGNITION. ACS CHEM. BIOL. V. 13 600 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
YJM C:1326;
A:1327;
B:1326;
D:1325;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
ic50 = 0.22 uM
339.298 C6 H13 N O11 S2 C([C@...
TRP A:1331;
D:1330;
B:1334;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
204.225 C11 H12 N2 O2 c1ccc...
EU A:1328;
A:2000;
C:1329;
B:2000;
C:1328;
B:1327;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
151.964 Eu [Eu+2...
CL D:1327;
C:1332;
B:1333;
A:1330;
B:1330;
B:1331;
B:1329;
B:1332;
C:1331;
D:1329;
D:1328;
C:1330;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
CA A:1329;
B:1328;
C:1327;
D:1326;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5G6U 1.84 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF LANGERIN CARBOHYDRATE RECOGNITION DOMAI GLCNS6S HOMO SAPIENS CARBOHYDRATE BINDING PROTEIN LANGERIN CD207 CLEC4K C-TYPLECTINS CLRS SULFATED CARBOHYDRATES
Ref.: RATIONAL-DIFFERENTIAL DESIGN OF HIGHLY SPECIFIC GLY LIGANDS: TARGETING DC-SIGN AND EXCLUDING LANGERIN RECOGNITION. ACS CHEM. BIOL. V. 13 600 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5G6U ic50 = 0.22 uM YJM C6 H13 N O11 S2 C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5G6U ic50 = 0.22 uM YJM C6 H13 N O11 S2 C([C@@H]1[....
50% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 3P5I - G6S NAG n/a n/a
2 3P5H - BGC BGC n/a n/a
3 4N37 - MMA C7 H14 O6 CO[C@@H]1[....
4 4N34 - 2F8 C9 H17 N O6 CC(=O)N[C@....
5 3P5E - MAN C6 H12 O6 C([C@@H]1[....
6 3P5D - MAN C6 H12 O6 C([C@@H]1[....
7 5G6U ic50 = 0.22 uM YJM C6 H13 N O11 S2 C([C@@H]1[....
8 5VYB - MAN MAN MAN BMA MAN MAN MAN n/a n/a
9 1SL5 - GAL NAG GAL FUC n/a n/a
10 2IT5 - MAN MAN MAN n/a n/a
11 1K9J - NAG MAN MAN MAN NAG n/a n/a
12 1SL4 - MAN MAN MAN MAN n/a n/a
13 2IT6 - MAN MAN n/a n/a
14 1K9I - NAG MAN MAN MAN NAG n/a n/a
15 3VYK Kd = 0.00003 M MMA MAN NAG MAN NAG NAG n/a n/a
16 4KZV - TRE C12 H22 O11 C([C@@H]1[....
17 4ZRV - 4RS C16 H28 O12 CCCC(=O)OC....
18 5KTH - TRE 6X7 6X7 n/a n/a
19 5KTI - TRE 6X6 n/a n/a
20 2OX9 - GAL NAG FUC n/a n/a
21 4ZES Ki = 9.4 mM MMA C7 H14 O6 CO[C@@H]1[....
22 3WH2 - FLC C6 H5 O7 C(C(=O)[O-....
23 5JPV - LBT C12 H22 O11 C([C@@H]1[....
24 5JQ1 - ZPF C9 H15 N O6 CC(=O)N[C@....
25 1SL6 - GAL NDG FUC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: YJM; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 YJM 1 1
2 SGN 1 1
3 NGS 0.603774 0.870968
4 3LJ 0.5 0.898305
Ligand no: 2; Ligand: TRP; Similar ligands found: 29
No: Ligand ECFP6 Tc MDL keys Tc
1 DTR 1 1
2 TRP 1 1
3 LTN 0.765957 0.777778
4 TR7 0.666667 0.833333
5 3IL 0.666667 0.75
6 4Z9 0.666667 0.75
7 FT6 0.561404 0.888889
8 IAC 0.538462 0.787879
9 TSR 0.529412 0.722222
10 IOP 0.518519 0.764706
11 R59 0.515152 0.72093
12 R38 0.515152 0.72093
13 3IB 0.491228 0.742857
14 ITW 0.491228 0.694444
15 IAD 0.484375 0.738095
16 TRP GLY 0.476923 0.704545
17 TSS 0.471698 0.666667
18 CTE 0.467742 0.888889
19 DTE 0.467742 0.888889
20 IAV 0.461538 0.738095
21 IAG 0.459016 0.738095
22 LYS TRP 0.432432 0.673913
23 78U 0.42623 0.794118
24 0ZN 0.421687 0.673913
25 4OG 0.416667 0.8
26 X95 0.411765 0.680851
27 LSW 0.411765 0.680851
28 ASP TRP ASN 0.405063 0.673913
29 GLU ASP ASN ASP TRP ASN 0.405063 0.673913
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5G6U; Ligand: YJM; Similar sites found with APoc: 103
This union binding pocket(no: 1) in the query (biounit: 5g6u.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 2QX0 APC None
2 1UPF URF 0.892857
3 6AR9 3L4 1.14943
4 1LDN NAD 1.14943
5 1TKK ALA GLU 1.53257
6 5BVA FAD 1.53257
7 1I0S FMN 1.77515
8 1I0S NAP 1.77515
9 1TMM APC 1.89873
10 1TMM HHR 1.89873
11 3E1T FAD 1.91571
12 4M38 SAH 1.91571
13 1DUV PSQ 1.91571
14 4M37 SAH 1.91571
15 5B6D C5P 1.91571
16 5B4B LP5 2.01613
17 2PEZ DAT 2.23464
18 2PEZ GGZ 2.23464
19 5XNC N4P 2.29885
20 5VXC COA 2.29885
21 1BB6 UMG 2.32558
22 3P2H NOO 2.48756
23 3APT FAD 2.68199
24 6DA9 FMN 2.68199
25 4KBA 1QM 2.68199
26 1M7G ADX 2.8436
27 1KUV CA5 2.89855
28 2OAT PFM 3.06513
29 4BCS BTN 3.2
30 1PZM 5GP 3.31754
31 3UR0 SVR 3.44828
32 1KRH FAD 3.44828
33 3ZQ6 ADP ALF 3.44828
34 1RBL CAP 3.44828
35 2Z49 AMG 3.83142
36 2J83 BAT 3.83142
37 2FZH DH1 3.8835
38 1USF NAP 3.93258
39 1USF FMN 3.93258
40 2WOJ ADP ALF 4.5977
41 4XTR ATP 4.5977
42 4LOC BTN 4.5977
43 4FZV SAM 4.60251
44 1QSC ACE TYR PRO ILE GLN GLU THR 4.71204
45 5T2U NAP 4.83871
46 6FCX FAD 4.98084
47 4WB7 ATP 4.98084
48 4EHU ANP 4.98084
49 2PUL ACP 4.98084
50 1EU8 TRE 4.98084
51 3AFN NAP 5.03876
52 2VDH CAP 5.36398
53 1M4I COA 5.52486
54 1M4I KAN 5.52486
55 1XVB BHL 5.74713
56 4QVB F42 6.12245
57 1T0I FMN 6.28272
58 6GWR FEW 6.51341
59 3MN7 ATP 6.51341
60 1YAG ATP 6.51341
61 5TCI 79V 6.52174
62 2A5F NAD 6.73575
63 5O98 NAP 6.89655
64 1WBI BTN 6.97674
65 4W9F 3JU 7.2165
66 2ZV2 609 7.27969
67 1UZD CAP 7.46269
68 4EJN 0R4 7.66284
69 5NVX 4YY 7.69231
70 4W9H 3JF 7.69231
71 4B9K TG0 7.69231
72 1Y52 BTN 7.93651
73 5WXH ALA ARG THR M3L GLN THR ALA 7.93651
74 1PVC ILE SER GLU VAL 8.04598
75 2D0N PRO SER ILE ASP ARG SER THR LYS PRO 8.47458
76 4BKS X6C 8.65385
77 1R9J TPP 8.81226
78 2IFW ACE PHE LYS PHE PSA LEU AAR 9.2233
79 3NRR D16 9.57854
80 6G3R ADP 9.96169
81 5LPA ATP 9.96169
82 5LPA 71R 9.96169
83 1P4A PCP 11.4943
84 2BUP ADP 11.8774
85 2BUP ATP 11.8774
86 4QLX KTC 13.6986
87 4QLX FMN 13.6986
88 3E3U NVC 14.2132
89 5ETR 5RW 14.9068
90 5ETR APC 14.9068
91 5O2D 9HH 18.5
92 4GJ3 0XP 20.3065
93 1BCJ NGA 24.6753
94 1FKB RAP 25.2336
95 3ALT MLB 29.2994
96 2MSB NAG BMA MAN MAN MAN MAN MAN 32.1739
97 1G1T SIA GAL MAG FUC 33.121
98 1JZN BGC GAL 33.3333
99 1TLG GAL 33.6
100 4WQQ MAN 39.0071
101 1PWB GLC GLC 40.678
102 1PWB GLC 40.678
103 1RDL MMA 45.1327
Pocket No.: 2; Query (leader) PDB : 5G6U; Ligand: YJM; Similar sites found with APoc: 11
This union binding pocket(no: 2) in the query (biounit: 5g6u.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3GFS FMN None
2 1Q23 FUA 1.82648
3 6APV 3L4 1.85185
4 1BKJ FMN 2.08333
5 4B1W ATP 2.68199
6 1NLU IVA PHI TYB 3.83142
7 1T7Q COA 3.83142
8 1T7Q 152 3.83142
9 2R5N TPP 8.04598
10 1OKE BOG 9.1954
11 3HCH RSM 9.58904
Pocket No.: 3; Query (leader) PDB : 5G6U; Ligand: TRP; Similar sites found with APoc: 357
This union binding pocket(no: 3) in the query (biounit: 5g6u.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5ZZ6 NAD None
2 5GT9 NAP None
3 2QA1 FAD 0.766284
4 2DC1 NAD 0.847458
5 1LDN NAD 1.14943
6 3PC3 P1T 1.14943
7 1QX4 FAD 1.14943
8 4WOP CTP 1.33333
9 1BZY IMU 1.38249
10 4MP8 NAD 1.53257
11 4MP8 MLI 1.53257
12 3ZNN 4WL 1.53257
13 3ZNN FAD 1.53257
14 2XVE FAD 1.53257
15 2XVF FAD 1.53257
16 3K7M FAD 1.53257
17 4EDF UPG 1.53257
18 5EOW FAD 1.53257
19 4K5S FAD 1.53257
20 2BJK NAD 1.53257
21 1JGT APC 1.53257
22 4MCC 21X 1.62602
23 1RYI FAD 1.91571
24 1RYI GOA 1.91571
25 5GSN MMZ 1.91571
26 5GSN NAP 1.91571
27 5GSN FAD 1.91571
28 1KOL NAD 1.91571
29 5HXI FAD 1.91571
30 5HXI 5HN 1.91571
31 1GPE FAD 1.91571
32 1IG3 VIB 1.91571
33 3RS8 APR 1.91571
34 3E1T FAD 1.91571
35 3GD4 FAD 1.91571
36 3PVT 3HC 1.9305
37 3WGT QSC 2.29885
38 3WGT FAD 2.29885
39 3NYC IAR 2.29885
40 3NYC FAD 2.29885
41 5YB7 FAD 2.29885
42 5YB7 ORN 2.29885
43 4I9B NAD 2.29885
44 1E3I CXF 2.29885
45 4I8P NAD 2.29885
46 1KJ8 GAR 2.29885
47 3LZW FAD 2.29885
48 3LZW NAP 2.29885
49 1D1T NAD 2.29885
50 1RPN NDP 2.29885
51 1RX0 FAD 2.29885
52 1XNG ATP 2.29885
53 5X68 FAD 2.29885
54 5NM7 GLY 2.29885
55 3CIF G3H 2.29885
56 1N1G BCP 2.29885
57 1RX0 2MC 2.29885
58 1JV1 UD1 2.29885
59 2B4R NAD 2.29885
60 5Y72 DST 2.29885
61 3CIF NAD 2.29885
62 1RM4 NDP 2.29885
63 2P4S DIH 2.29885
64 5OCM NAP 2.29885
65 4D7M TDC 2.30415
66 5ZI9 FLC 2.30769
67 3IHZ FK5 2.38095
68 1RC0 KT5 2.39234
69 2JAH NDP 2.42915
70 2JAP NDP 2.42915
71 5BRT CH9 2.68199
72 5BRT FAD 2.68199
73 6GNA FAD 2.68199
74 6ER9 NAP 2.68199
75 6ER9 FAD 2.68199
76 3G5S FAD 2.68199
77 5NMX NAP 2.68199
78 5NMX FAD 2.68199
79 6GNC FAD 2.68199
80 3EYA FAD 2.68199
81 3UOY FAD 2.68199
82 3UOY NAP 2.68199
83 4JDR FAD 2.68199
84 2V6G NAP 2.68199
85 4DSG FAD 2.68199
86 4DSG UDP 2.68199
87 4RQU NAD 2.68199
88 4MIG G3F 2.68199
89 5L13 6ZE 2.68199
90 5UAV TFB 2.68199
91 5UAV NDP 2.68199
92 4PLT OXM 2.68199
93 4PLT NAI 2.68199
94 1Q19 APC 2.68199
95 1JA9 NDP 2.68199
96 5W8Q BU4 2.68199
97 2QRY TPS 2.68199
98 1FWV SGA MAG FUC 2.98507
99 4X9M FAD 3.06513
100 3VPH OXM 3.06513
101 3VPH NAD 3.06513
102 6ES9 FAD 3.06513
103 2DKH FAD 3.06513
104 2DKH 3HB 3.06513
105 2OQ2 A3P 3.06513
106 4TXJ THM 3.06513
107 2F1K NAP 3.06513
108 1HYH NAD 3.06513
109 3BD9 A3P 3.06513
110 6F3M NAD 3.06513
111 4YAG NAI 3.06513
112 1G2O IMH 3.06513
113 3TN7 NJP 3.11284
114 5YSS NAD 3.125
115 5O96 SAM 3.26531
116 5FJN FAD 3.28947
117 5FJN BE2 3.28947
118 1I8T FAD 3.44828
119 4ZCC NAI 3.44828
120 4ZCC FAD 3.44828
121 2Q7V FAD 3.44828
122 5BUK FAD 3.44828
123 5VN0 NAI 3.44828
124 5J7X FAD 3.44828
125 2Y6Q FAD 3.44828
126 2Y6Q I7T 3.44828
127 2CDU FAD 3.44828
128 2CDU ADP 3.44828
129 6F9Q NAD 3.44828
130 3GFB NAD 3.44828
131 5VN0 FAD 3.44828
132 4D3F NAP 3.44828
133 1X1T NAD 3.46154
134 2Q2V NAD 3.52941
135 5ZYN FAD 3.83142
136 5JCA FAD 3.83142
137 4A0M NAD 3.83142
138 5JCA NDP 3.83142
139 1RSG FAD 3.83142
140 4MO2 FDA 3.83142
141 1YY5 FAD 3.83142
142 6GAS FAD 3.83142
143 4EMI FAD 3.83142
144 5IUW IAC 3.83142
145 5IUW NAD 3.83142
146 1CDO NAD 3.83142
147 1KOR SIN 3.83142
148 4UP3 NDP 3.83142
149 3AY6 BGC 3.83142
150 3AY6 NAI 3.83142
151 5THQ NDP 3.83142
152 3CTL S6P 3.8961
153 3EEL 53T 3.96476
154 5I39 FAD 4.21456
155 5UAO FAD 4.21456
156 4USQ FAD 4.21456
157 3AYI HCI 4.21456
158 3AYI FAD 4.21456
159 5YRV 5AD 4.21456
160 1JQI FAD 4.21456
161 2FZW NAD 4.21456
162 5AYV KPL 4.21456
163 3S5W NAP 4.21456
164 3ABI NAD 4.21456
165 1P0F NAP 4.21456
166 1TB4 PEJ 4.21456
167 1W73 NAP 4.21456
168 3V1Y NAD 4.21456
169 1W6U NAP 4.21456
170 4BJZ P3A 4.24528
171 4BJZ FAD 4.24528
172 1MJH ATP 4.32099
173 5ZBC FAD 4.5977
174 4J36 1HR 4.5977
175 1C0I BE2 4.5977
176 1C0I FAD 4.5977
177 2VVL FAD 4.5977
178 4J36 FAD 4.5977
179 2VVM FAD 4.5977
180 1PL6 572 4.5977
181 1PL6 NAD 4.5977
182 5EVY FAD 4.5977
183 5JWC FAD 4.5977
184 3ZZH ARG 4.5977
185 1XKQ NDP 4.5977
186 1WDK NAD 4.5977
187 1J0D 5PA 4.5977
188 5A0U CHT 4.5977
189 6A0S NDP 4.81928
190 6A0S HSE 4.81928
191 5T2U NAP 4.83871
192 5G3U FDA 4.98084
193 4KVL PLM 4.98084
194 5G3U ITW 4.98084
195 2YVF NAD 4.98084
196 2YVF FAD 4.98084
197 3QVP FAD 4.98084
198 4M52 FAD 4.98084
199 2A8X FAD 4.98084
200 1YNH SUO 4.98084
201 4BV6 FAD 4.98084
202 5L9O GOP 4.98084
203 1GAD NAD 4.98084
204 1P9P SAH 4.98084
205 3PVW QRX 5
206 3KLJ FAD 5.36398
207 4CNK FAD 5.36398
208 2VHW NAI 5.36398
209 2JB2 PHE 5.36398
210 2JB2 FAD 5.36398
211 3GMB FAD 5.36398
212 3AB1 FAD 5.36398
213 6F97 FAD 5.36398
214 1UXG FUM 5.36398
215 1UXG NAD 5.36398
216 3WXM GTP 5.36398
217 3RK1 ATP 5.36398
218 2C6Q IMP 5.36398
219 6CI9 NAP 5.40541
220 4FN4 NAD 5.51181
221 1E6E FAD 5.74713
222 2Q0L FAD 5.74713
223 1E1M FAD 5.74713
224 1E1M NAP 5.74713
225 1QO8 FAD 5.74713
226 4U8P FDA 5.74713
227 2A92 NAI 5.74713
228 2ZXI FAD 5.74713
229 1VI2 NAD 5.74713
230 1NPD NAD 5.74713
231 2Q0L NAP 5.74713
232 5OJL TXP 5.74713
233 5AOV NAP 5.95238
234 1YKJ FAD 6.13027
235 1YKJ PHB 6.13027
236 2EV9 SKM 6.13027
237 2EV9 NAP 6.13027
238 1V59 FAD 6.13027
239 1EZ4 NAD 6.13027
240 6F7L FAD 6.13027
241 4ZGS NAD 6.13027
242 2YVJ NAI 6.42202
243 2YVJ FAD 6.42202
244 5ODQ FAD 6.42857
245 1SW0 PGA 6.45161
246 1PS9 FAD 6.51341
247 4D04 NAP 6.51341
248 4D04 FAD 6.51341
249 4D5G TPP 6.51341
250 4D5G FAD 6.51341
251 3CIP ATP 6.51341
252 1FK8 NAD 6.61479
253 4IV9 FAD 6.89655
254 2R4J 13P 6.89655
255 2R4J FAD 6.89655
256 2GAG NAD 6.89655
257 3ICT ADP 6.89655
258 3AD8 NAD 6.89655
259 1PJS NAD 6.89655
260 1KEV NDP 6.89655
261 3ICS ADP 6.89655
262 3B1F NAD 6.89655
263 4JK3 NAD 6.94981
264 4YRY NAD 7.27969
265 5TTJ FAD 7.27969
266 4YRY FAD 7.27969
267 5H81 NAP 7.27969
268 4UCI SAM 7.27969
269 5M37 9SZ 7.3913
270 4NG2 OHN 7.6087
271 2IVD FAD 7.66284
272 2RGH FAD 7.66284
273 2AQJ TRP 7.66284
274 2AQJ FAD 7.66284
275 2B9W FAD 7.66284
276 5MBX FAD 7.66284
277 5MBX SP5 7.66284
278 5MZI FYK 7.66284
279 5MZI FAD 7.66284
280 5DF1 58X 7.66284
281 5DF1 NAP 7.66284
282 2NVK FAD 7.66284
283 5Y77 FAD 7.66284
284 1PN0 FAD 8.04598
285 1PN0 IPH 8.04598
286 6GAR FAD 8.04598
287 3SJU NDP 8.04598
288 1O94 ADP 8.04598
289 4YSX FAD 8.04598
290 5WGR FAD 8.04598
291 6EL3 NAP 8.04598
292 5TUF FAD 8.04598
293 2DFV NAD 8.04598
294 2OHH FMN 8.04598
295 4DPL NAP 8.42912
296 4Z9D NAD 8.57143
297 5TWB FAD 8.81226
298 4MOP 2H5 8.81226
299 2HK9 NAP 8.81226
300 2HK9 ATR 8.81226
301 5E5U MLI 9.04523
302 3NKS FAD 9.1954
303 1H82 GZZ 9.1954
304 1H82 FAD 9.1954
305 1J0X NAD 9.1954
306 5TWJ SAM 9.25926
307 2E5V FAD 9.57854
308 5XWV NDP 9.57854
309 5XWV 8H6 9.57854
310 2DTX BMA 9.57854
311 3QV1 NAD 9.7561
312 3HDY FAD 9.96169
313 3HDY GDU 9.96169
314 3HDY FDA 9.96169
315 5KOX RFP 9.96169
316 5KOX FAD 9.96169
317 1FL2 FAD 9.96169
318 5FJJ MAN 9.96169
319 4YKG FAD 9.96169
320 4CQM NAP 9.96169
321 2IXB NAD 9.96169
322 4HSU FAD 10
323 3AXB PRO 10.3448
324 3AXB FAD 10.3448
325 2WET FAD 10.3448
326 5BVE 4VG 10.5263
327 3X0V FAD 10.728
328 2BD0 NAP 11.0656
329 1SOW NAD 11.1111
330 5NA1 FAD 11.1111
331 6CEP NAD 11.4943
332 6CEP OXM 11.4943
333 2WME NAP 11.4943
334 4ZVV GN0 11.8774
335 4ZVV NAD 11.8774
336 1CCW TAR 12.4088
337 1FEC FAD 12.6437
338 1YQS BSA 12.6437
339 2B5W NAP 14.1762
340 1PZG A3D 14.5594
341 1NVT NAP 14.9826
342 3GF4 UPG 15.3257
343 3GF4 FAD 15.3257
344 2BW7 APC 15.9817
345 2IID PHE 16.092
346 2IID FAD 16.092
347 1NF3 GNP 16.4062
348 2DKN NAI 16.4706
349 2GMH FAD 16.4751
350 2VYN NAD 17.2414
351 5TS5 FAD 18.0077
352 1REO FAD 18.0077
353 5MQ6 NDP 18.0077
354 1CER NAD 18.0077
355 1NYT NAP 18.3908
356 5UR0 NAD 20.6897
357 5J60 FAD 22.9885
Pocket No.: 4; Query (leader) PDB : 5G6U; Ligand: TRP; Similar sites found with APoc: 29
This union binding pocket(no: 4) in the query (biounit: 5g6u.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4GN8 ASO 1.14943
2 2PZ8 APC 1.53257
3 1JGT CMA 1.53257
4 5N2I NAP 1.72414
5 3MMH SME 1.79641
6 3GD4 NAD 1.91571
7 3FG2 FAD 1.91571
8 5U8U FAD 2.29885
9 1TDF FAD 2.29885
10 3K5I AIR 2.29885
11 1KJ8 ATP 2.29885
12 1XG5 NAP 2.68199
13 1GV0 NAD 3.06513
14 1GUZ NAD 3.06513
15 1O9J NAD 3.06513
16 2IVN ANP 3.44828
17 4EMI NAD 3.83142
18 4ZLU 4PW 3.83142
19 4ZLU ADP 3.83142
20 1DJN ADP 4.5977
21 1NXJ GLV 6.01093
22 1GQ2 NAP 6.13027
23 1PS9 NAP 6.51341
24 2HJR APR 6.51341
25 3QJ4 FAD 7.27969
26 3CTY FAD 10.3448
27 5F7N NAG GAL FUC FUC A2G 10.8333
28 9LDT NAD 11.8774
29 5UPK GNP 14.5833
Pocket No.: 5; Query (leader) PDB : 5G6U; Ligand: YJM; Similar sites found with APoc: 19
This union binding pocket(no: 5) in the query (biounit: 5g6u.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 2O3Z AI7 1.91571
2 1M7G ADP 2.8436
3 2ADD SUC 3.06513
4 4U60 SIA GAL BGC NGA GAL 3.06513
5 4YC9 4C1 3.26087
6 4O1M NAD 3.83142
7 2OO8 RAJ 3.83142
8 4YDD MGD 4.21456
9 4YDD MD1 4.21456
10 4PO2 ASN ARG LEU LEU LEU THR GLY 4.25532
11 5ND5 TPP 4.5977
12 6GBX S77 4.5977
13 1N5D NDP 5.74713
14 4DP3 MMV 7.66284
15 2R5N RP5 8.04598
16 2R5N R5P 8.04598
17 2PWY SAH 8.81226
18 1FFU FAD 9.1954
19 2GKS ADP 13.41
Pocket No.: 6; Query (leader) PDB : 5G6U; Ligand: TRP; Similar sites found with APoc: 52
This union binding pocket(no: 6) in the query (biounit: 5g6u.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5ZZ6 ADP None
2 1Z82 NDP 1.14943
3 2WLG SOP 1.39535
4 5LVP ATP 1.91571
5 5T9F NAP 2.29885
6 6AA8 NAD 2.29885
7 4ITU NAI 2.68199
8 5UIU 8CG 2.68199
9 4KWI 1TJ 2.68199
10 4KWI NAP 2.68199
11 1Q19 SSC 2.68199
12 1GTE FAD 3.06513
13 1PVN MZP 3.06513
14 3LXD FAD 3.06513
15 5EIN NAP 3.06513
16 4OOE FOM 3.06513
17 4OOE NDP 3.06513
18 2ZPA ACO 3.06513
19 2JLD AG1 3.06513
20 3HMO STU 3.44828
21 5ETJ IM5 3.83142
22 4FWE FAD 4.21456
23 4GUT FAD 4.21456
24 4BI7 PGA 4.28016
25 3ORF NAD 4.78088
26 3NUG NAD 4.8583
27 4M52 M52 4.98084
28 5Z5I XYP 4.98084
29 2QRK AMP 4.98084
30 1T26 GBD 4.98084
31 1T26 NAI 4.98084
32 3T12 GDP ALF 5.05051
33 4R5M NAP 5.36398
34 4R5M 4NO 5.36398
35 4TQG NDP 5.74713
36 5NUL FMN 5.7971
37 1B8O IMH 6.13027
38 3U4L ATP 6.51341
39 5KF9 NAG 6.89655
40 5KF9 COA 6.89655
41 3MJH GTP 7.14286
42 2I3G NAP 7.27969
43 2NXW TPP 8.42912
44 1JQD HSM 9.57854
45 2RGJ FAD 11.1111
46 2PID YSA 11.1111
47 9LDB NAD 11.8774
48 1KQN NAD 13.0268
49 6H39 FGY 13.6792
50 3VZS NAP 14.3969
51 3A06 NDP 17.6245
52 2A40 ATP 31.25
Pocket No.: 7; Query (leader) PDB : 5G6U; Ligand: YJM; Similar sites found with APoc: 15
This union binding pocket(no: 7) in the query (biounit: 5g6u.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2IMF TOM None
2 2IMF GSH None
3 2AHR NAP 1.1583
4 1PR9 NAP 2.45902
5 3D3W NAP 2.45902
6 4W8B GLC BGC BGC XYS BGC XYS XYS GAL 3.44828
7 1CZI PRO PHI SMC NOR 3.44828
8 2Z48 A2G 3.83142
9 1QL9 ZEN 4.03587
10 4JLS 3ZE 4.60526
11 2OFW ADX 6.25
12 5O0J 8BR 8.42912
13 3B2Q ATP 12.2605
14 3VZS NAP 14.3969
15 1RM0 NAI 18.0077
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