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Receptor
PDB id Resolution Class Description Source Keywords
4IDC 1.4 Å NON-ENZYME: OTHER STRUCTURE OF THE FRAGARIA X ANANASSA ENONE OXIDOREDUCTASE IN WITH NADPH AND HDMF FRAGARIA VESCA MEDIUM CHAIN DEHYDROGENASE/REDUCTASE FAMILY ZINC-INDEPENDENROSSMANN FOLD ENONE OXIDOREDUCTASE FURANEOL HYDRIDE TRANNADPH NADH HDMF 4-HYDROXY-25-DIMETHYL-3(2H)-FURANONE OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR THE ENZYMATIC FORMATION OF THE STRAWBERRY FLAVOR COMPOUND 4-HYDROXY-2,5-DIMETHYL-3(2H)-FURANONE J.BIOL.CHEM. V. 288 16815 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDP A:401;
Valid;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
1XX A:402;
Valid;
none;
submit data
128.126 C6 H8 O3 C[C@@...
EDO A:404;
A:405;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
SO4 A:403;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4IDC 1.4 Å NON-ENZYME: OTHER STRUCTURE OF THE FRAGARIA X ANANASSA ENONE OXIDOREDUCTASE IN WITH NADPH AND HDMF FRAGARIA VESCA MEDIUM CHAIN DEHYDROGENASE/REDUCTASE FAMILY ZINC-INDEPENDENROSSMANN FOLD ENONE OXIDOREDUCTASE FURANEOL HYDRIDE TRANNADPH NADH HDMF 4-HYDROXY-25-DIMETHYL-3(2H)-FURANONE OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR THE ENZYMATIC FORMATION OF THE STRAWBERRY FLAVOR COMPOUND 4-HYDROXY-2,5-DIMETHYL-3(2H)-FURANONE J.BIOL.CHEM. V. 288 16815 2013
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4IDC - 1XX C6 H8 O3 C[C@@H]1C(....
2 4IDE - 3XX C7 H8 O3 C/C=C/1C(=....
3 4IDF - 4XX C5 H6 O3 CC1=C(C(=O....
4 4IDB - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 4IDD - 2XX C7 H10 O3 CC[C@@H]1C....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4IDC - 1XX C6 H8 O3 C[C@@H]1C(....
2 4IDE - 3XX C7 H8 O3 C/C=C/1C(=....
3 4IDF - 4XX C5 H6 O3 CC1=C(C(=O....
4 4IDB - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 4IDD - 2XX C7 H10 O3 CC[C@@H]1C....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4IDC - 1XX C6 H8 O3 C[C@@H]1C(....
2 4IDE - 3XX C7 H8 O3 C/C=C/1C(=....
3 4IDF - 4XX C5 H6 O3 CC1=C(C(=O....
4 4IDB - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 4IDD - 2XX C7 H10 O3 CC[C@@H]1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NDP; Similar ligands found: 172
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 1DG 0.68 1
8 DG1 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 80F 0.537879 0.914634
23 2AM 0.529412 0.87013
24 6V0 0.519685 0.974026
25 NAP 0.514493 0.922078
26 7L1 0.507143 0.763441
27 EAD 0.507143 0.949367
28 A2D 0.504673 0.921053
29 TXE 0.503876 0.935897
30 NA0 0.496454 0.910256
31 TXD 0.496124 0.911392
32 SAP 0.495575 0.875
33 AGS 0.495575 0.875
34 P1H 0.493056 0.925926
35 CO7 0.489796 0.791209
36 TAP 0.489362 0.864198
37 PAP 0.482456 0.907895
38 BA3 0.481818 0.921053
39 NAJ PZO 0.478261 0.924051
40 ATP 0.477876 0.921053
41 HEJ 0.477876 0.921053
42 B4P 0.477477 0.921053
43 AP5 0.477477 0.921053
44 ADP 0.477477 0.921053
45 OAD 0.47541 0.897436
46 AR6 0.473684 0.896104
47 AQP 0.473684 0.921053
48 5FA 0.473684 0.921053
49 APR 0.473684 0.896104
50 AN2 0.473214 0.909091
51 3OD 0.467742 0.897436
52 50T 0.464912 0.884615
53 NAJ PYZ 0.464789 0.879518
54 9X8 0.463415 0.851852
55 PO4 PO4 A A A A PO4 0.463415 0.857143
56 V3L 0.461538 0.896104
57 2A5 0.46087 0.85
58 AT4 0.460177 0.886076
59 A1R 0.459016 0.841463
60 4AD 0.459016 0.875
61 ADQ 0.459016 0.897436
62 OVE 0.458716 0.8375
63 OMR 0.458647 0.813953
64 PPS 0.457627 0.811765
65 AD9 0.456897 0.897436
66 CA0 0.45614 0.897436
67 M33 0.45614 0.884615
68 ADJ 0.455882 0.879518
69 A3P 0.455357 0.894737
70 ACP 0.452174 0.897436
71 ENP 0.451613 0.85
72 UP5 0.451128 0.948052
73 SRP 0.45 0.8625
74 ANP 0.449153 0.897436
75 ACQ 0.449153 0.897436
76 PRX 0.448276 0.82716
77 A3R 0.447154 0.841463
78 5AL 0.445378 0.884615
79 7D4 0.443478 0.8375
80 ADX 0.443478 0.811765
81 6YZ 0.438017 0.897436
82 A 0.436364 0.894737
83 AMP 0.436364 0.894737
84 4TC 0.433824 0.924051
85 7D3 0.433628 0.8375
86 DCA 0.433566 0.788889
87 ETB 0.433566 0.797753
88 BIS 0.433071 0.864198
89 1ZZ 0.433071 0.802326
90 00A 0.432 0.864198
91 ATF 0.429752 0.886076
92 DQV 0.428571 0.934211
93 0T1 0.427586 0.788889
94 5SV 0.427419 0.788235
95 8QN 0.427419 0.884615
96 3AM 0.427273 0.857143
97 N01 0.426573 0.884615
98 PR8 0.425197 0.811765
99 LAD 0.425197 0.821429
100 WAQ 0.425197 0.841463
101 DTP 0.425 0.8375
102 AMO 0.424 0.886076
103 PAJ 0.424 0.843373
104 APC 0.423729 0.886076
105 UPA 0.423358 0.935897
106 48N 0.422222 0.853659
107 FYA 0.421875 0.860759
108 PTJ 0.421875 0.853659
109 CNA 0.421429 0.910256
110 PUA 0.42069 0.9125
111 DND 0.419118 0.910256
112 NXX 0.419118 0.910256
113 AV2 0.418033 0.848101
114 COA 0.417808 0.788889
115 3UK 0.417323 0.897436
116 OOB 0.416 0.909091
117 IVC 0.415584 0.78022
118 DAT 0.415254 0.8375
119 NDO 0.414966 0.897436
120 139 0.414286 0.901235
121 B5V 0.414062 0.886076
122 T99 0.413223 0.886076
123 TAT 0.413223 0.886076
124 3AT 0.413223 0.896104
125 YLB 0.413043 0.784091
126 62F 0.4125 0.823529
127 ABM 0.412281 0.848101
128 B5M 0.412214 0.875
129 YAP 0.412214 0.875
130 YLP 0.411765 0.784091
131 NB8 0.410853 0.853659
132 ME8 0.410853 0.802326
133 SON 0.410256 0.886076
134 DLL 0.409449 0.909091
135 AHX 0.409449 0.853659
136 CAO 0.409396 0.763441
137 30N 0.409396 0.72449
138 AMX 0.409396 0.797753
139 COS 0.409396 0.771739
140 7D5 0.409091 0.8125
141 4UW 0.408759 0.9125
142 F2R 0.408451 0.825581
143 APX 0.407692 0.841463
144 SRA 0.40708 0.85
145 CMX 0.406667 0.788889
146 SCO 0.406667 0.788889
147 TYM 0.405797 0.886076
148 COD 0.405594 0.777778
149 CA6 0.405229 0.70297
150 OXK 0.405229 0.771739
151 AP2 0.405172 0.886076
152 A12 0.405172 0.886076
153 9SN 0.40458 0.853659
154 LAQ 0.404412 0.802326
155 T5A 0.404255 0.914634
156 FAM 0.403974 0.771739
157 ACO 0.403974 0.763441
158 FCX 0.403974 0.763441
159 VO4 ADP 0.403226 0.860759
160 ADP VO4 0.403226 0.860759
161 YLC 0.402878 0.823529
162 1VU 0.402597 0.763441
163 B5Y 0.401515 0.875
164 FA5 0.401515 0.886076
165 HAX 0.401316 0.771739
166 AR6 AR6 0.4 0.871795
167 CAJ 0.4 0.771739
168 AFH 0.4 0.843373
169 APU 0.4 0.923077
170 A U 0.4 0.898734
171 TXA 0.4 0.886076
172 4UU 0.4 0.948052
Ligand no: 2; Ligand: 1XX; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 1XX 1 1
2 2XX 0.518519 0.821429
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4IDC; Ligand: NDP; Similar sites found with APoc: 395
This union binding pocket(no: 1) in the query (biounit: 4idc.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 4DR9 BB2 None
2 3NJ4 NAD 1.50602
3 3NJ4 AFX 1.50602
4 2YVF NAD 1.50602
5 2YVF FAD 1.50602
6 5YU3 PRO 1.50602
7 5YU3 NAD 1.50602
8 2CVQ NDP 1.52905
9 2Q0L NAP 1.60772
10 1A0J BEN 1.79372
11 4XYB NDP 1.80723
12 1GZ4 ATP 1.80723
13 3IT1 TLA 1.80723
14 6F5W KG1 1.80723
15 5L53 NAP 1.85185
16 1A5Z NAD 1.88088
17 5X20 NAD 1.92308
18 5L4L NAP 1.97368
19 5ZDK ATP 2.0073
20 1EBF NAD 2.10843
21 1ZGS XMM 2.10843
22 1OC2 NAD 2.10843
23 1OC2 TDX 2.10843
24 4ZGS NAD 2.10843
25 1KEW NAD 2.10843
26 2R4J 13P 2.10843
27 2R4J FAD 2.10843
28 1U1I NAD 2.10843
29 4TQG NDP 2.16718
30 4O0L NDP 2.18182
31 2NAD NAD 2.29008
32 1W6U NAP 2.31788
33 1W73 NAP 2.31788
34 1W8D NAP 2.31788
35 1E5Q NDP 2.40964
36 4XQC 13D 2.40964
37 2QRK AMP 2.40964
38 4ZVV GN0 2.40964
39 4ZVV NAD 2.40964
40 5A1S FLC 2.40964
41 6EL3 NAP 2.40964
42 9LDB NAD 2.40964
43 4IP7 FLC 2.40964
44 3S5W NAP 2.40964
45 4M52 FAD 2.40964
46 4XQC NAD 2.40964
47 9LDT NAD 2.40964
48 3WMX NAD 2.40964
49 2HJR APR 2.43902
50 5XVH NAP 2.61438
51 1BW9 NAD 2.71084
52 1C1X NAD 2.71084
53 1C1X HFA 2.71084
54 2DC1 NAD 2.71084
55 1BXG NAD 2.71084
56 1BW9 PPY 2.71084
57 1BXK NAD 2.71084
58 1DSS NAD 2.71084
59 1WVG APR 2.71084
60 1X7D NAD 2.71084
61 3B20 NAD 2.71084
62 2C29 NAP 2.71084
63 6CEP NAD 2.71084
64 2V6G NAP 2.71084
65 1X7D ORN 2.71084
66 5Y8L HUI 2.71186
67 5Y8L NAD 2.71186
68 5U5N NAD 2.86738
69 1ONI BEZ 2.89855
70 1YJQ NAP 2.9703
71 2B5W NAP 3.01205
72 3BAZ NAP 3.01205
73 5MDH NAD 3.01205
74 1PJS NAD 3.01205
75 3V1Y NAD 3.01205
76 4MDH NAD 3.01205
77 1V59 NAD 3.01205
78 3K5I AIR 3.01205
79 2B4R NAD 3.01205
80 1GZ6 NAI 3.01205
81 4KCT PYR 3.01205
82 2B4R AES 3.01205
83 5Z2F NAP 3.01887
84 1PZG A3D 3.02115
85 4E5N NAD 3.0303
86 1SOW NAD 3.04878
87 1VL0 NAI 3.08219
88 5F5N NAD 3.11419
89 3C1O NAP 3.11526
90 3GGO NAI 3.18471
91 3GGO ENO 3.18471
92 5X9D 80F 3.28947
93 2O4C NAD 3.31325
94 4EDF UPG 3.31325
95 1UXG FUM 3.31325
96 1UXG NAD 3.31325
97 3LU1 NAD 3.31325
98 2DT5 NAD 3.31754
99 1NYT NAP 3.32103
100 1TIQ COA 3.33333
101 5ZZ6 ADP 3.36538
102 5ZZ6 NAD 3.36538
103 1MRH FMC 3.42205
104 2PK3 A2R 3.42679
105 5TC4 NAD 3.48101
106 3VOZ 04A 3.49206
107 1J5P NAD 3.55731
108 2BGM NAJ 3.59712
109 1MUU NAD 3.61446
110 1NPD NAD 3.61446
111 5KKA 6V0 3.61446
112 1SC6 NAD 3.61446
113 4OOE FOM 3.61446
114 4OOE NDP 3.61446
115 1VI2 NAD 3.61446
116 3CIF NAD 3.61446
117 1J49 NAD 3.61446
118 1WPQ NAD 3.61446
119 5OVK NDP 3.61446
120 1MV8 NAD 3.61446
121 3BOF HCS 3.61446
122 3H9E NAD 3.61446
123 1Q8A HCS 3.61446
124 1P7T PYR 3.61446
125 3CIF G3H 3.61446
126 2GCG NDP 3.63636
127 1KYQ NAD 3.64964
128 3G6N MET ALA SER 3.66492
129 1T26 GBD 3.72671
130 1T26 NAI 3.72671
131 1LTH NAD 3.76176
132 1LUA NAP 3.83275
133 2JL1 NAP 3.83275
134 5UR0 NAD 3.91566
135 5MLR GRQ 3.91566
136 1HKU NAD 3.91566
137 5J5Z FAD 3.91566
138 1R6D NAD 3.91566
139 1VKO NAD 3.91566
140 1R6D DAU 3.91566
141 5ZEC NAP 3.91566
142 1GY8 NAD 3.91566
143 1VM6 NAD 3.94737
144 1B8U NAD 3.95137
145 1SB8 UD2 3.97727
146 1SB8 NAD 3.97727
147 1P77 ATR 4.04412
148 1LDN NAD 4.11392
149 5OCM NAP 4.12371
150 3B1F NAD 4.13793
151 4KOA NDP 4.2042
152 3ICS ADP 4.21687
153 3ICT ADP 4.21687
154 2GSD NAD 4.21687
155 1P31 EPU 4.21687
156 5VN0 NAI 4.21687
157 1PS9 NAP 4.21687
158 1TB4 PEJ 4.21687
159 2FR1 NDP 4.21687
160 1Z45 NAD 4.21687
161 1OMO NAD 4.34783
162 4YCA NDP 4.42177
163 2GNK ATP 4.46429
164 1GV0 NAD 4.51807
165 1GUZ NAD 4.51807
166 4OM8 NAD 4.53074
167 2P3V SRT 4.6875
168 2PV7 NAD 4.69799
169 3A06 NDP 4.81928
170 5ZI2 NAD 4.81928
171 5ZI2 ADP 4.81928
172 2CDU ADP 4.81928
173 3A06 FOM 4.81928
174 5U8U FAD 4.81928
175 6AA8 NAD 4.96689
176 1X9I G6Q 4.96689
177 5M67 NAD 5.12048
178 5M67 3D1 5.12048
179 5M67 ADE 5.12048
180 1WDK NAD 5.12048
181 1DLJ UGA 5.12048
182 1DLJ NAI 5.12048
183 3KB6 NAD 5.12048
184 2GN4 UD1 5.12048
185 2GN4 NDP 5.12048
186 1U8X NAD 5.12048
187 1Q0H NDP 5.12048
188 2Y5S 78H 5.12048
189 1Q0H FOM 5.12048
190 5Z75 NAD 5.12048
191 4PIV NDP 5.12048
192 4XZ3 COA 5.12048
193 3VPH OXM 5.16129
194 3VPH NAD 5.16129
195 4JX1 CAH 5.30973
196 1DJN ADP 5.42169
197 4R5M NAP 5.42169
198 4MP8 MLI 5.42169
199 4MP8 NAD 5.42169
200 1O94 ADP 5.42169
201 6F3N ADN 5.42169
202 6F3N NAD 5.42169
203 4R5M 4NO 5.42169
204 1YS4 NAP 5.42169
205 6F3M NAD 5.42169
206 5AOA PPI 5.59441
207 4XB2 HSE 5.72289
208 6CDZ CB3 5.72289
209 5YEC ATP 5.72289
210 4XB2 NDP 5.72289
211 2OOR NAD 5.72917
212 5Z20 NAI 5.7971
213 1KJ8 GAR 5.88235
214 3ITJ CIT 5.91716
215 1NVT NAP 5.92335
216 3OND NAD 6.0241
217 3OND ADN 6.0241
218 1CF2 NAP 6.0241
219 5LD5 NAD 6.0241
220 5OJL TXP 6.04027
221 2VT3 ATP 6.04651
222 2HK9 ATR 6.18182
223 2HK9 NAP 6.18182
224 1FK8 NAD 6.22568
225 4BVA NDP 6.3253
226 2I3G NAP 6.3253
227 4DPL NAP 6.3253
228 4BVA T3 6.3253
229 1HYE NAP 6.3253
230 6A3J NAI 6.3253
231 1TL2 NDG 6.35593
232 1ZEM NAD 6.48855
233 1HFE CYS 6.50407
234 3WBF NAP 6.55738
235 3WBF API 6.55738
236 5THQ NDP 6.61765
237 1O0S NAI 6.62651
238 2JE7 XMM 6.62651
239 1C3V NDP 6.62651
240 2AWN ADP 6.62651
241 1ORR NAD 6.62651
242 5GZ6 NDP 6.74847
243 5GT9 NAP 6.84411
244 3O03 NAP 6.87285
245 1SAY PYR 6.92771
246 1GR0 NAD 6.92771
247 1CER NAD 6.94864
248 4UP3 NDP 7.00637
249 2AG8 NAP 7.22433
250 5EES NAP 7.22892
251 3GD4 NAD 7.22892
252 2AE2 PTO 7.22892
253 2AE2 NAP 7.22892
254 5ZI9 FLC 7.53012
255 2EV9 SKM 7.60456
256 2EV9 NAP 7.60456
257 5N2I NAP 7.75862
258 4D79 ATP 7.83133
259 5DF1 58X 7.83133
260 5DF1 NAP 7.83133
261 2NU8 COA 7.83133
262 4RDH AMP 7.83133
263 2Q1W NAD 7.83133
264 4PLG OXM 8.08383
265 4PLG NAI 8.08383
266 1WP4 NDP 8.13253
267 4G5H NAP 8.13253
268 4G5H UD7 8.13253
269 2GLX NDP 8.13253
270 4Z0H NAD 8.13253
271 1J0X NAD 8.13253
272 2NVK NAP 8.13253
273 3H8V ATP 8.21918
274 2WPB ZZI 8.22368
275 6A0S NDP 8.43373
276 6A0S HSE 8.43373
277 5KOD IAC 8.43373
278 4JEJ 1GP 8.60656
279 2DBZ NAP 8.73494
280 2VHW NAI 8.75332
281 2YLN CYS 8.83392
282 4D3F NAP 9.03226
283 4RQU NAD 9.03614
284 1HYH NAD 9.03614
285 2A92 NAI 9.03614
286 1DRV A3D 9.33735
287 5UAV NDP 9.33735
288 5UAV TFB 9.33735
289 1YXM ADE 9.33735
290 1DIG NAP 9.47712
291 1O6Z NAD 9.57096
292 4E13 NAD 9.63855
293 4CQM NAP 9.63855
294 2F1K NAP 9.67742
295 1CDO NAD 9.93976
296 1RM0 D6P 9.93976
297 1RM0 NAI 9.93976
298 2NPX NAD 9.93976
299 1E3I CXF 10.241
300 3CMC NAD 10.241
301 5Z21 NAI 10.241
302 3WQQ NDP 10.241
303 3WQQ IB3 10.241
304 2D2I NAP 10.241
305 4KP7 NAP 10.241
306 4KP7 1UQ 10.241
307 1EZ4 NAD 10.3774
308 5JE8 NAD 10.596
309 5NUE NAD 10.8434
310 5NUF NAD 10.8434
311 1V8B NAD 10.8434
312 1RM4 NDP 11.1446
313 1H82 GZZ 11.1446
314 2ZJ1 ARJ 11.4458
315 2ZJ1 NAD 11.4458
316 4NBU NAI 11.6
317 1AE1 NAP 11.7216
318 3ABI NAD 11.747
319 1GQ2 NAP 11.747
320 2VYN NAD 11.7825
321 1GAD NAD 11.8182
322 5CAE COA 12.6506
323 1HDR NAD 12.7049
324 1LSS NAD 12.8571
325 2FZW NAD 12.9518
326 2GZ3 NAP 12.9518
327 1F06 NDP 12.9518
328 2ZB3 NDP 13.5542
329 5A1T NAI 13.5542
330 5A1T OXM 13.5542
331 5N6C NAD 13.5542
332 5AOV NAP 13.8554
333 3RFV NAI 13.8577
334 2QZZ NAP 14.4578
335 2QZZ EMF 14.4578
336 1VHZ APR 14.6465
337 5EIN NAP 14.8148
338 5Y02 MXN 14.9533
339 6BII NAP 15.3614
340 2ZB4 5OP 15.9639
341 2ZB4 NAP 15.9639
342 3B1J NAD 16
343 1O5I NAD 16.0643
344 5L95 AMP 16.25
345 2YVJ NAI 17.4312
346 4J4H NAI 17.4699
347 4J4H 1J1 17.4699
348 4JK3 NAD 17.4699
349 3QV1 NAD 18.2927
350 1LVL NAD 18.3735
351 4PLT OXM 18.9759
352 4PLT NAI 18.9759
353 2CDC XYP 20.1807
354 2CDC XYS 20.1807
355 2CDC NAP 20.1807
356 2DM6 IMN 20.7831
357 2DM6 NAP 20.7831
358 3TWO NDP 22.8916
359 1F8F NAD 24.6988
360 1JAY NAP 25.4717
361 1YKF NAP 25.9036
362 5O9F 9ON 26.506
363 5O9F NAD 26.506
364 1H2B NAJ 26.506
365 1PL6 572 27.1084
366 1PL6 NAD 27.1084
367 4B7X NAP 27.7108
368 3B6Z CO7 28.012
369 5FI3 NAP 28.6145
370 5H81 NAP 28.9157
371 1KEV NDP 29.8193
372 1YQD NAP 30.4217
373 2DFV NAD 32.2289
374 1P0F NAP 32.8313
375 4W6Z 8ID 33.1325
376 1KOL NAD 36.1446
377 1LLU NAD 37.6506
378 4WAS COO 38.253
379 4WAS NAP 38.253
380 2JHF NAD 38.8554
381 1U3U NAD 39.1566
382 1U3U BNF 39.1566
383 1D1T NAD 39.759
384 4JBI NDP 40.0602
385 4GKV NAD 40.0602
386 3QWB NDP 40.6627
387 1N9G NAP 40.6627
388 3GFB NAD 40.9639
389 4RVU NDP 41.8675
390 3WLE NAD 43.0723
391 3JYN NDP 43.6923
392 2J8Z NAP 44.8795
393 1R37 NAD 45.4819
394 4A0S NAP 47.5904
395 1YB5 NAP 48.494
Pocket No.: 2; Query (leader) PDB : 4IDC; Ligand: 1XX; Similar sites found with APoc: 395
This union binding pocket(no: 2) in the query (biounit: 4idc.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 4DR9 BB2 None
2 3NJ4 NAD 1.50602
3 3NJ4 AFX 1.50602
4 2YVF NAD 1.50602
5 2YVF FAD 1.50602
6 5YU3 PRO 1.50602
7 5YU3 NAD 1.50602
8 2CVQ NDP 1.52905
9 2Q0L NAP 1.60772
10 1A0J BEN 1.79372
11 4XYB NDP 1.80723
12 1GZ4 ATP 1.80723
13 3IT1 TLA 1.80723
14 6F5W KG1 1.80723
15 5L53 NAP 1.85185
16 1A5Z NAD 1.88088
17 5X20 NAD 1.92308
18 5L4L NAP 1.97368
19 5ZDK ATP 2.0073
20 1EBF NAD 2.10843
21 1ZGS XMM 2.10843
22 1OC2 NAD 2.10843
23 1OC2 TDX 2.10843
24 4ZGS NAD 2.10843
25 1KEW NAD 2.10843
26 2R4J 13P 2.10843
27 2R4J FAD 2.10843
28 1U1I NAD 2.10843
29 4TQG NDP 2.16718
30 4O0L NDP 2.18182
31 2NAD NAD 2.29008
32 1W6U NAP 2.31788
33 1W73 NAP 2.31788
34 1W8D NAP 2.31788
35 1E5Q NDP 2.40964
36 4XQC 13D 2.40964
37 2QRK AMP 2.40964
38 4ZVV GN0 2.40964
39 4ZVV NAD 2.40964
40 5A1S FLC 2.40964
41 6EL3 NAP 2.40964
42 9LDB NAD 2.40964
43 4IP7 FLC 2.40964
44 3S5W NAP 2.40964
45 4M52 FAD 2.40964
46 4XQC NAD 2.40964
47 9LDT NAD 2.40964
48 3WMX NAD 2.40964
49 2HJR APR 2.43902
50 5XVH NAP 2.61438
51 1BW9 NAD 2.71084
52 1C1X NAD 2.71084
53 1C1X HFA 2.71084
54 2DC1 NAD 2.71084
55 1BXG NAD 2.71084
56 1BW9 PPY 2.71084
57 1BXK NAD 2.71084
58 1DSS NAD 2.71084
59 1WVG APR 2.71084
60 1X7D NAD 2.71084
61 3B20 NAD 2.71084
62 2C29 NAP 2.71084
63 6CEP NAD 2.71084
64 2V6G NAP 2.71084
65 1X7D ORN 2.71084
66 5Y8L HUI 2.71186
67 5Y8L NAD 2.71186
68 5U5N NAD 2.86738
69 1ONI BEZ 2.89855
70 1YJQ NAP 2.9703
71 2B5W NAP 3.01205
72 3BAZ NAP 3.01205
73 5MDH NAD 3.01205
74 1PJS NAD 3.01205
75 3V1Y NAD 3.01205
76 4MDH NAD 3.01205
77 1V59 NAD 3.01205
78 3K5I AIR 3.01205
79 2B4R NAD 3.01205
80 1GZ6 NAI 3.01205
81 4KCT PYR 3.01205
82 2B4R AES 3.01205
83 5Z2F NAP 3.01887
84 1PZG A3D 3.02115
85 4E5N NAD 3.0303
86 1SOW NAD 3.04878
87 1VL0 NAI 3.08219
88 5F5N NAD 3.11419
89 3C1O NAP 3.11526
90 3GGO NAI 3.18471
91 3GGO ENO 3.18471
92 5X9D 80F 3.28947
93 2O4C NAD 3.31325
94 4EDF UPG 3.31325
95 1UXG FUM 3.31325
96 1UXG NAD 3.31325
97 3LU1 NAD 3.31325
98 2DT5 NAD 3.31754
99 1NYT NAP 3.32103
100 1TIQ COA 3.33333
101 5ZZ6 ADP 3.36538
102 5ZZ6 NAD 3.36538
103 1MRH FMC 3.42205
104 2PK3 A2R 3.42679
105 5TC4 NAD 3.48101
106 3VOZ 04A 3.49206
107 1J5P NAD 3.55731
108 2BGM NAJ 3.59712
109 1MUU NAD 3.61446
110 1NPD NAD 3.61446
111 5KKA 6V0 3.61446
112 1SC6 NAD 3.61446
113 4OOE FOM 3.61446
114 4OOE NDP 3.61446
115 1VI2 NAD 3.61446
116 3CIF NAD 3.61446
117 1J49 NAD 3.61446
118 1WPQ NAD 3.61446
119 5OVK NDP 3.61446
120 1MV8 NAD 3.61446
121 3BOF HCS 3.61446
122 3H9E NAD 3.61446
123 1Q8A HCS 3.61446
124 1P7T PYR 3.61446
125 3CIF G3H 3.61446
126 2GCG NDP 3.63636
127 1KYQ NAD 3.64964
128 3G6N MET ALA SER 3.66492
129 1T26 GBD 3.72671
130 1T26 NAI 3.72671
131 1LTH NAD 3.76176
132 1LUA NAP 3.83275
133 2JL1 NAP 3.83275
134 5UR0 NAD 3.91566
135 5MLR GRQ 3.91566
136 1HKU NAD 3.91566
137 5J5Z FAD 3.91566
138 1R6D NAD 3.91566
139 1VKO NAD 3.91566
140 1R6D DAU 3.91566
141 5ZEC NAP 3.91566
142 1GY8 NAD 3.91566
143 1VM6 NAD 3.94737
144 1B8U NAD 3.95137
145 1SB8 UD2 3.97727
146 1SB8 NAD 3.97727
147 1P77 ATR 4.04412
148 1LDN NAD 4.11392
149 5OCM NAP 4.12371
150 3B1F NAD 4.13793
151 4KOA NDP 4.2042
152 3ICS ADP 4.21687
153 3ICT ADP 4.21687
154 2GSD NAD 4.21687
155 1P31 EPU 4.21687
156 5VN0 NAI 4.21687
157 1PS9 NAP 4.21687
158 1TB4 PEJ 4.21687
159 2FR1 NDP 4.21687
160 1Z45 NAD 4.21687
161 1OMO NAD 4.34783
162 4YCA NDP 4.42177
163 2GNK ATP 4.46429
164 1GV0 NAD 4.51807
165 1GUZ NAD 4.51807
166 4OM8 NAD 4.53074
167 2P3V SRT 4.6875
168 2PV7 NAD 4.69799
169 3A06 NDP 4.81928
170 5ZI2 NAD 4.81928
171 5ZI2 ADP 4.81928
172 2CDU ADP 4.81928
173 3A06 FOM 4.81928
174 5U8U FAD 4.81928
175 6AA8 NAD 4.96689
176 1X9I G6Q 4.96689
177 5M67 NAD 5.12048
178 5M67 3D1 5.12048
179 5M67 ADE 5.12048
180 1WDK NAD 5.12048
181 1DLJ UGA 5.12048
182 1DLJ NAI 5.12048
183 3KB6 NAD 5.12048
184 2GN4 UD1 5.12048
185 2GN4 NDP 5.12048
186 1U8X NAD 5.12048
187 1Q0H NDP 5.12048
188 2Y5S 78H 5.12048
189 1Q0H FOM 5.12048
190 5Z75 NAD 5.12048
191 4PIV NDP 5.12048
192 4XZ3 COA 5.12048
193 3VPH OXM 5.16129
194 3VPH NAD 5.16129
195 4JX1 CAH 5.30973
196 1DJN ADP 5.42169
197 4R5M NAP 5.42169
198 4MP8 MLI 5.42169
199 4MP8 NAD 5.42169
200 1O94 ADP 5.42169
201 6F3N ADN 5.42169
202 6F3N NAD 5.42169
203 4R5M 4NO 5.42169
204 1YS4 NAP 5.42169
205 6F3M NAD 5.42169
206 5AOA PPI 5.59441
207 4XB2 HSE 5.72289
208 6CDZ CB3 5.72289
209 5YEC ATP 5.72289
210 4XB2 NDP 5.72289
211 2OOR NAD 5.72917
212 5Z20 NAI 5.7971
213 1KJ8 GAR 5.88235
214 3ITJ CIT 5.91716
215 1NVT NAP 5.92335
216 3OND NAD 6.0241
217 3OND ADN 6.0241
218 1CF2 NAP 6.0241
219 5LD5 NAD 6.0241
220 5OJL TXP 6.04027
221 2VT3 ATP 6.04651
222 2HK9 ATR 6.18182
223 2HK9 NAP 6.18182
224 1FK8 NAD 6.22568
225 4BVA NDP 6.3253
226 2I3G NAP 6.3253
227 4DPL NAP 6.3253
228 4BVA T3 6.3253
229 1HYE NAP 6.3253
230 6A3J NAI 6.3253
231 1TL2 NDG 6.35593
232 1ZEM NAD 6.48855
233 1HFE CYS 6.50407
234 3WBF NAP 6.55738
235 3WBF API 6.55738
236 5THQ NDP 6.61765
237 1O0S NAI 6.62651
238 2JE7 XMM 6.62651
239 1C3V NDP 6.62651
240 2AWN ADP 6.62651
241 1ORR NAD 6.62651
242 5GZ6 NDP 6.74847
243 5GT9 NAP 6.84411
244 3O03 NAP 6.87285
245 1SAY PYR 6.92771
246 1GR0 NAD 6.92771
247 1CER NAD 6.94864
248 4UP3 NDP 7.00637
249 2AG8 NAP 7.22433
250 5EES NAP 7.22892
251 3GD4 NAD 7.22892
252 2AE2 PTO 7.22892
253 2AE2 NAP 7.22892
254 5ZI9 FLC 7.53012
255 2EV9 SKM 7.60456
256 2EV9 NAP 7.60456
257 5N2I NAP 7.75862
258 4D79 ATP 7.83133
259 5DF1 58X 7.83133
260 5DF1 NAP 7.83133
261 2NU8 COA 7.83133
262 4RDH AMP 7.83133
263 2Q1W NAD 7.83133
264 4PLG OXM 8.08383
265 4PLG NAI 8.08383
266 1WP4 NDP 8.13253
267 4G5H NAP 8.13253
268 4G5H UD7 8.13253
269 2GLX NDP 8.13253
270 4Z0H NAD 8.13253
271 1J0X NAD 8.13253
272 2NVK NAP 8.13253
273 3H8V ATP 8.21918
274 2WPB ZZI 8.22368
275 6A0S NDP 8.43373
276 6A0S HSE 8.43373
277 5KOD IAC 8.43373
278 4JEJ 1GP 8.60656
279 2DBZ NAP 8.73494
280 2VHW NAI 8.75332
281 2YLN CYS 8.83392
282 4D3F NAP 9.03226
283 4RQU NAD 9.03614
284 1HYH NAD 9.03614
285 2A92 NAI 9.03614
286 1DRV A3D 9.33735
287 5UAV NDP 9.33735
288 5UAV TFB 9.33735
289 1YXM ADE 9.33735
290 1DIG NAP 9.47712
291 1O6Z NAD 9.57096
292 4E13 NAD 9.63855
293 4CQM NAP 9.63855
294 2F1K NAP 9.67742
295 1CDO NAD 9.93976
296 1RM0 D6P 9.93976
297 1RM0 NAI 9.93976
298 2NPX NAD 9.93976
299 1E3I CXF 10.241
300 3CMC NAD 10.241
301 5Z21 NAI 10.241
302 3WQQ NDP 10.241
303 3WQQ IB3 10.241
304 2D2I NAP 10.241
305 4KP7 NAP 10.241
306 4KP7 1UQ 10.241
307 1EZ4 NAD 10.3774
308 5JE8 NAD 10.596
309 5NUE NAD 10.8434
310 5NUF NAD 10.8434
311 1V8B NAD 10.8434
312 1RM4 NDP 11.1446
313 1H82 GZZ 11.1446
314 2ZJ1 ARJ 11.4458
315 2ZJ1 NAD 11.4458
316 4NBU NAI 11.6
317 1AE1 NAP 11.7216
318 3ABI NAD 11.747
319 1GQ2 NAP 11.747
320 2VYN NAD 11.7825
321 1GAD NAD 11.8182
322 5CAE COA 12.6506
323 1HDR NAD 12.7049
324 1LSS NAD 12.8571
325 2FZW NAD 12.9518
326 2GZ3 NAP 12.9518
327 1F06 NDP 12.9518
328 2ZB3 NDP 13.5542
329 5A1T NAI 13.5542
330 5A1T OXM 13.5542
331 5N6C NAD 13.5542
332 5AOV NAP 13.8554
333 3RFV NAI 13.8577
334 2QZZ NAP 14.4578
335 2QZZ EMF 14.4578
336 1VHZ APR 14.6465
337 5EIN NAP 14.8148
338 5Y02 MXN 14.9533
339 6BII NAP 15.3614
340 2ZB4 5OP 15.9639
341 2ZB4 NAP 15.9639
342 3B1J NAD 16
343 1O5I NAD 16.0643
344 5L95 AMP 16.25
345 2YVJ NAI 17.4312
346 4J4H NAI 17.4699
347 4J4H 1J1 17.4699
348 4JK3 NAD 17.4699
349 3QV1 NAD 18.2927
350 1LVL NAD 18.3735
351 4PLT OXM 18.9759
352 4PLT NAI 18.9759
353 2CDC XYP 20.1807
354 2CDC XYS 20.1807
355 2CDC NAP 20.1807
356 2DM6 IMN 20.7831
357 2DM6 NAP 20.7831
358 3TWO NDP 22.8916
359 1F8F NAD 24.6988
360 1JAY NAP 25.4717
361 1YKF NAP 25.9036
362 5O9F 9ON 26.506
363 5O9F NAD 26.506
364 1H2B NAJ 26.506
365 1PL6 572 27.1084
366 1PL6 NAD 27.1084
367 4B7X NAP 27.7108
368 3B6Z CO7 28.012
369 5FI3 NAP 28.6145
370 5H81 NAP 28.9157
371 1KEV NDP 29.8193
372 1YQD NAP 30.4217
373 2DFV NAD 32.2289
374 1P0F NAP 32.8313
375 4W6Z 8ID 33.1325
376 1KOL NAD 36.1446
377 1LLU NAD 37.6506
378 4WAS COO 38.253
379 4WAS NAP 38.253
380 2JHF NAD 38.8554
381 1U3U NAD 39.1566
382 1U3U BNF 39.1566
383 1D1T NAD 39.759
384 4JBI NDP 40.0602
385 4GKV NAD 40.0602
386 3QWB NDP 40.6627
387 1N9G NAP 40.6627
388 3GFB NAD 40.9639
389 4RVU NDP 41.8675
390 3WLE NAD 43.0723
391 3JYN NDP 43.6923
392 2J8Z NAP 44.8795
393 1R37 NAD 45.4819
394 4A0S NAP 47.5904
395 1YB5 NAP 48.494
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