Receptor
PDB id Resolution Class Description Source Keywords
3ANL 2.1 Å EC: 1.1.1.267 CRYSTAL STRUCTURE OF 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOI (DXR) COMPLEXED WITH PYRIDIN-2-YLMETHYLPHOSPHONIC ACID ESCHERICHIA COLI REDUCTOISOMERASE NADPH BINDING OXIDOREDUCTASE
Ref.: STRUCTURES OF 1-DEOXY-D-XYLULOSE-5-PHOSPHATE REDUCTOISOMERASE/LIPOPHILIC PHOSPHONATE COMPLEXES ACS MED CHEM LETT V. 2 165 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDP A:701;
B:702;
Valid;
Valid;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
SYC A:800;
B:801;
Valid;
Valid;
none;
none;
ic50 = 4.6 uM
173.106 C6 H8 N O3 P c1ccn...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Q0H 2.2 Å EC: 1.1.1.267 CRYSTAL STRUCTURE OF SELENOMETHIONINE-LABELLED DXR IN COMPLE FOSMIDOMYCIN ESCHERICHIA COLI OXIDOREDUCTASE
Ref.: THE CRYSTAL STRUCTURE OF E.COLI 1-DEOXY-D-XYLULOSE-5-PHOSPHATE REDUCTOISOMERASE IN COMPLEX WITH THE ANTIMALARIAL COMPOUND FOSMIDOMYCIN NADPH REVEALS A TIGHT-BINDING CLOSED ENZYME CONFORM J.MOL.BIOL. V. 345 115 2005
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3ANL ic50 = 4.6 uM SYC C6 H8 N O3 P c1ccnc(c1)....
2 2EGH Ki = 38 nM FOM C4 H10 N O5 P C(CN(C=O)O....
3 1T1S ic50 = 7 uM CBQ C6 H9 Cl N2 O6 P2 c1cc(ncc1C....
4 1ONP - FOM C4 H10 N O5 P C(CN(C=O)O....
5 3ANM ic50 = 0.84 uM SYD C12 H12 N O3 P c1ccc(cc1)....
6 1JVS - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
7 1Q0H Ki ~ 21 nM FOM C4 H10 N O5 P C(CN(C=O)O....
8 1T1R ic50 = 4 uM IMB C10 H12 N2 O6 P2 c1ccc2c(c1....
9 1Q0Q - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
10 3R0I ic50 = 0.12 uM C0K C11 H14 F2 N O5 P CN(C(=O)CC....
11 3ANN ic50 = 15.9 uM SYE C10 H10 N O3 P c1ccc2c(c1....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3ANL ic50 = 4.6 uM SYC C6 H8 N O3 P c1ccnc(c1)....
2 2EGH Ki = 38 nM FOM C4 H10 N O5 P C(CN(C=O)O....
3 1T1S ic50 = 7 uM CBQ C6 H9 Cl N2 O6 P2 c1cc(ncc1C....
4 1ONP - FOM C4 H10 N O5 P C(CN(C=O)O....
5 3ANM ic50 = 0.84 uM SYD C12 H12 N O3 P c1ccc(cc1)....
6 1JVS - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
7 1Q0H Ki ~ 21 nM FOM C4 H10 N O5 P C(CN(C=O)O....
8 1T1R ic50 = 4 uM IMB C10 H12 N2 O6 P2 c1ccc2c(c1....
9 1Q0Q - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
10 3R0I ic50 = 0.12 uM C0K C11 H14 F2 N O5 P CN(C(=O)CC....
11 3ANN ic50 = 15.9 uM SYE C10 H10 N O3 P c1ccc2c(c1....
50% Homology Family (43)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2JCV ic50 = 80 nM FOM C4 H10 N O5 P C(CN(C=O)O....
2 3ZHZ Kd = 0.09 uM FM7 C23 H20 Cl2 F3 N2 O5 P c1ccc(c(c1....
3 2JD1 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
4 2JCX ic50 = 80 nM FOM C4 H10 N O5 P C(CN(C=O)O....
5 4AIC ic50 = 80 nM FOM C4 H10 N O5 P C(CN(C=O)O....
6 4OOE Ki = 14 nM FOM C4 H10 N O5 P C(CN(C=O)O....
7 4RCV - DE2 C4 H8 O3 CC(=O)[C@H....
8 2Y1F ic50 = 15 uM 34F C10 H12 Cl2 N O5 P c1cc(c(cc1....
9 3ZI0 Kd = 0.04 uM FM8 C19 H19 Cl2 N4 O5 P c1ccc(c(c1....
10 4A03 ic50 = 160 nM F98 C5 H12 N O5 P CC(=O)N(CC....
11 2Y1D - 34F C10 H12 Cl2 N O5 P c1cc(c(cc1....
12 2Y1G ic50 = 0.7 uM FM5 C11 H14 Cl2 N O5 P CC(=O)N(CC....
13 4OOF Ki = 60 nM FOM C4 H10 N O5 P C(CN(C=O)O....
14 2JD0 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
15 3WQR ic50 = 0.02 uM LSX C12 H18 N O6 P CN(C(=O)CC....
16 3WQS ic50 = 0.05 uM KBK C11 H16 N O7 P CN(C(=O)CO....
17 3WQQ ic50 = 0.01 uM IB3 C12 H18 N O5 P Cc1ccc(cc1....
18 3ANL ic50 = 4.6 uM SYC C6 H8 N O3 P c1ccnc(c1)....
19 2EGH Ki = 38 nM FOM C4 H10 N O5 P C(CN(C=O)O....
20 1T1S ic50 = 7 uM CBQ C6 H9 Cl N2 O6 P2 c1cc(ncc1C....
21 1ONP - FOM C4 H10 N O5 P C(CN(C=O)O....
22 3ANM ic50 = 0.84 uM SYD C12 H12 N O3 P c1ccc(cc1)....
23 1JVS - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
24 1Q0H Ki ~ 21 nM FOM C4 H10 N O5 P C(CN(C=O)O....
25 1T1R ic50 = 4 uM IMB C10 H12 N2 O6 P2 c1ccc2c(c1....
26 1Q0Q - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
27 3R0I ic50 = 0.12 uM C0K C11 H14 F2 N O5 P CN(C(=O)CC....
28 3ANN ic50 = 15.9 uM SYE C10 H10 N O3 P c1ccc2c(c1....
29 3A06 ic50 ~ 100 nM FOM C4 H10 N O5 P C(CN(C=O)O....
30 3A14 - MPD C6 H14 O2 C[C@@H](CC....
31 4Y6P ic50 = 0.069 uM R77 C15 H24 N O5 P CN(C(=O)C[....
32 5JMP ic50 = 0.067 uM LC7 C14 H21 F N O5 P CN(C(=O)C[....
33 5JMW ic50 = 0.175 uM L50 C15 H24 N O5 P Cc1ccc(cc1....
34 5JBI ic50 = 0.12 uM 6J8 C15 H24 N O6 P CN(C(=O)C[....
35 4Y6R ic50 = 3.3 uM RF7 C11 H16 N O5 P CN(C(=O)C[....
36 4KP7 ic50 = 9.4 nM 1UQ C10 H14 N O5 P S CN(C(=O)CS....
37 4GAE Ki = 0.013 uM FOQ C10 H15 N2 O5 P CC(=O)N(CC....
38 4Y67 ic50 = 0.117 uM RC5 C14 H22 N O5 P CN(C(=O)C[....
39 5JO0 ic50 = 0.05 uM L56 C15 H24 N O5 P Cc1cccc(c1....
40 5JAZ ic50 = 0.28 uM LC5 C18 H24 N O5 P CN(C(=O)C[....
41 4Y6S ic50 = 9.3 uM 48S C12 H18 N O5 P Cc1ccc(cc1....
42 5JC1 ic50 = 0.15 uM 6JB C15 H24 N O6 P CN(C(=O)C[....
43 5JNL ic50 = 0.27 uM L54 C15 H21 F3 N O5 P CN(C(=O)C[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NDP; Similar ligands found: 180
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 NDP DTT 0.528169 0.891566
25 6V0 0.519685 0.974026
26 NAP 0.514493 0.922078
27 7L1 0.507143 0.763441
28 EAD 0.507143 0.949367
29 A2D 0.504673 0.921053
30 TXE 0.503876 0.935897
31 NA0 0.496454 0.910256
32 TXD 0.496124 0.911392
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 HQG 0.483051 0.909091
38 PAP 0.482456 0.907895
39 BA3 0.481818 0.921053
40 NAJ PZO 0.478261 0.924051
41 ATP 0.477876 0.921053
42 HEJ 0.477876 0.921053
43 B4P 0.477477 0.921053
44 AP5 0.477477 0.921053
45 ADP 0.477477 0.921053
46 OAD 0.47541 0.897436
47 5FA 0.473684 0.921053
48 APR 0.473684 0.896104
49 AR6 0.473684 0.896104
50 AQP 0.473684 0.921053
51 AN2 0.473214 0.909091
52 3OD 0.467742 0.897436
53 50T 0.464912 0.884615
54 NAJ PYZ 0.464789 0.879518
55 9X8 0.463415 0.851852
56 PO4 PO4 A A A A PO4 0.463415 0.857143
57 V3L 0.461538 0.896104
58 2A5 0.46087 0.85
59 AT4 0.460177 0.886076
60 ADQ 0.459016 0.897436
61 4AD 0.459016 0.875
62 A1R 0.459016 0.841463
63 OVE 0.458716 0.8375
64 OMR 0.458647 0.813953
65 PPS 0.457627 0.811765
66 AD9 0.456897 0.897436
67 CA0 0.45614 0.897436
68 M33 0.45614 0.884615
69 ADJ 0.455882 0.879518
70 A3P 0.455357 0.894737
71 KG4 0.452174 0.897436
72 ACP 0.452174 0.897436
73 ENP 0.451613 0.85
74 UP5 0.451128 0.948052
75 SRP 0.45 0.8625
76 ACQ 0.449153 0.897436
77 ANP 0.449153 0.897436
78 PRX 0.448276 0.82716
79 A3R 0.447154 0.841463
80 5AL 0.445378 0.884615
81 KMQ 0.445312 0.886076
82 7D4 0.443478 0.8375
83 ADX 0.443478 0.811765
84 8LQ 0.442623 0.8625
85 8LH 0.438017 0.8625
86 6YZ 0.438017 0.897436
87 A 0.436364 0.894737
88 AMP 0.436364 0.894737
89 4TC 0.433824 0.924051
90 7D3 0.433628 0.8375
91 DCA 0.433566 0.788889
92 ETB 0.433566 0.797753
93 8LE 0.433333 0.851852
94 1ZZ 0.433071 0.802326
95 BIS 0.433071 0.864198
96 JNT 0.432 0.873418
97 00A 0.432 0.864198
98 QA7 0.430894 0.851852
99 ATF 0.429752 0.886076
100 DQV 0.428571 0.934211
101 0T1 0.427586 0.788889
102 8QN 0.427419 0.884615
103 5SV 0.427419 0.788235
104 3AM 0.427273 0.857143
105 N01 0.426573 0.884615
106 LAD 0.425197 0.821429
107 WAQ 0.425197 0.841463
108 PR8 0.425197 0.811765
109 DTP 0.425 0.8375
110 PAJ 0.424 0.843373
111 AMO 0.424 0.886076
112 APC 0.423729 0.886076
113 UPA 0.423358 0.935897
114 48N 0.422222 0.853659
115 PTJ 0.421875 0.853659
116 FYA 0.421875 0.860759
117 CNA 0.421429 0.910256
118 PUA 0.42069 0.9125
119 DND 0.419118 0.910256
120 AV2 0.418033 0.848101
121 COA 0.417808 0.788889
122 3UK 0.417323 0.897436
123 OOB 0.416 0.909091
124 IVC 0.415584 0.78022
125 DAT 0.415254 0.8375
126 NDO 0.414966 0.897436
127 139 0.414286 0.901235
128 B5V 0.414062 0.886076
129 TAT 0.413223 0.886076
130 3AT 0.413223 0.896104
131 T99 0.413223 0.886076
132 L3W 0.413043 0.960526
133 YLB 0.413043 0.784091
134 62F 0.4125 0.823529
135 45A 0.412281 0.848101
136 ABM 0.412281 0.848101
137 B5M 0.412214 0.875
138 YLP 0.411765 0.784091
139 ME8 0.410853 0.802326
140 NB8 0.410853 0.853659
141 SON 0.410256 0.886076
142 DLL 0.409449 0.909091
143 AHX 0.409449 0.853659
144 COS 0.409396 0.771739
145 AMX 0.409396 0.797753
146 CAO 0.409396 0.763441
147 30N 0.409396 0.72449
148 7D5 0.409091 0.8125
149 4UW 0.408759 0.9125
150 F2R 0.408451 0.825581
151 APX 0.407692 0.841463
152 AMP MG 0.40708 0.857143
153 SRA 0.40708 0.85
154 SCO 0.406667 0.788889
155 CMX 0.406667 0.788889
156 TYM 0.405797 0.886076
157 COD 0.405594 0.777778
158 OXK 0.405229 0.771739
159 CA6 0.405229 0.70297
160 AP2 0.405172 0.886076
161 A12 0.405172 0.886076
162 OZV 0.404762 0.896104
163 9SN 0.40458 0.853659
164 LAQ 0.404412 0.802326
165 T5A 0.404255 0.914634
166 FCX 0.403974 0.763441
167 FAM 0.403974 0.771739
168 ACO 0.403974 0.763441
169 CUU 0.403361 0.896104
170 YLC 0.402878 0.823529
171 1VU 0.402597 0.763441
172 B5Y 0.401515 0.875
173 FA5 0.401515 0.886076
174 HAX 0.401316 0.771739
175 CAJ 0.4 0.771739
176 AR6 AR6 0.4 0.871795
177 TXA 0.4 0.886076
178 APU 0.4 0.923077
179 4UU 0.4 0.948052
180 AFH 0.4 0.843373
Ligand no: 2; Ligand: SYC; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 SYC 1 1
2 2E6 0.466667 0.666667
3 SYD 0.431818 0.914286
Similar Ligands (3D)
Ligand no: 1; Ligand: NDP; Similar ligands found: 6
No: Ligand Similarity coefficient
1 NAD 0.9403
2 NHD 0.9199
3 NAJ 0.9080
4 A3D 0.9036
5 8ID 0.8925
6 NAE 0.8727
Ligand no: 2; Ligand: SYC; Similar ligands found: 492
No: Ligand Similarity coefficient
1 B85 1.0000
2 HPS 0.9985
3 PMF 0.9983
4 QMP 0.9654
5 Q03 0.9605
6 I4B 0.9593
7 SEP 0.9583
8 GWM 0.9569
9 DS0 0.9561
10 PO6 0.9559
11 M4T 0.9519
12 PHE 0.9507
13 3QM 0.9507
14 K7M 0.9499
15 PAC 0.9496
16 MES 0.9491
17 B40 0.9475
18 PMB 0.9471
19 QY9 0.9451
20 PHU 0.9439
21 DPN 0.9405
22 HCI 0.9403
23 3PG 0.9401
24 XIZ 0.9394
25 CXP 0.9388
26 HF2 0.9385
27 HSO 0.9379
28 AKG 0.9358
29 IZC 0.9354
30 FK8 0.9348
31 AEG 0.9338
32 J0Z 0.9338
33 4HP 0.9336
34 TSU 0.9335
35 FB2 0.9331
36 SPA 0.9328
37 8U3 0.9321
38 CFI 0.9320
39 HPV 0.9318
40 TYE 0.9318
41 OSE 0.9318
42 PRA 0.9318
43 N4B 0.9316
44 NYL 0.9313
45 173 0.9313
46 268 0.9307
47 TYL 0.9306
48 9RW 0.9301
49 PEP 0.9297
50 Q02 0.9293
51 FAN 0.9293
52 4P5 0.9292
53 NFA 0.9288
54 GRO 0.9285
55 ISZ 0.9282
56 PZI 0.9278
57 G3H 0.9278
58 HG3 0.9275
59 R9S 0.9272
60 SAN 0.9266
61 HFA 0.9263
62 RMN 0.9258
63 KTA 0.9257
64 258 0.9254
65 TPA 0.9254
66 NIZ 0.9250
67 SMN 0.9248
68 3HP 0.9246
69 BHO 0.9245
70 PBA 0.9232
71 LT1 0.9230
72 BNF 0.9230
73 1SA 0.9230
74 1X4 0.9219
75 URS 0.9218
76 OGA 0.9216
77 AMS 0.9215
78 PBN 0.9214
79 PIM 0.9213
80 P7Y 0.9211
81 Q9Z 0.9211
82 RSO 0.9209
83 HY1 0.9204
84 GJZ 0.9203
85 K34 0.9200
86 DGL 0.9195
87 P80 0.9191
88 8OZ 0.9190
89 9RH 0.9189
90 CCE 0.9185
91 PEL 0.9184
92 R2P 0.9183
93 PAH 0.9182
94 G3P 0.9180
95 M3H 0.9178
96 4SX 0.9178
97 URO 0.9176
98 PEA 0.9167
99 PGH 0.9167
100 J9T 0.9166
101 MUC 0.9166
102 OHP 0.9165
103 R9M 0.9164
104 ACH 0.9158
105 6FZ 0.9154
106 3C4 0.9154
107 FBM 0.9153
108 51R 0.9153
109 AC6 0.9151
110 E4P 0.9148
111 A09 0.9147
112 ICB 0.9145
113 4NC 0.9142
114 069 0.9140
115 PPY 0.9139
116 PGA 0.9137
117 9ON 0.9137
118 HIS 0.9136
119 FEH 0.9135
120 DHY 0.9134
121 13P 0.9132
122 S2G 0.9127
123 CXF 0.9125
124 YPN 0.9125
125 271 0.9123
126 SME 0.9121
127 FCR 0.9119
128 SHI 0.9118
129 DGN 0.9117
130 EN1 0.9116
131 3SL 0.9115
132 AHC 0.9114
133 2PG 0.9113
134 GLU 0.9112
135 HPP 0.9110
136 BRH 0.9109
137 I1E 0.9107
138 BTM 0.9107
139 PPT 0.9107
140 F9P 0.9103
141 3S5 0.9102
142 S2P 0.9101
143 SPV 0.9100
144 GLN 0.9098
145 SD4 0.9095
146 GPJ 0.9094
147 GPF 0.9094
148 2UB 0.9094
149 SAF 0.9093
150 97T 0.9091
151 4J8 0.9091
152 2HG 0.9089
153 2IT 0.9089
154 GGL 0.9089
155 NCT 0.9086
156 BNS 0.9082
157 PFF 0.9080
158 OK7 0.9078
159 SRT 0.9078
160 3YP 0.9076
161 49F 0.9074
162 B3U 0.9073
163 92K 0.9072
164 M6H 0.9069
165 PPR 0.9069
166 DE5 0.9069
167 DYT 0.9066
168 4FA 0.9064
169 HMS 0.9064
170 1BN 0.9063
171 DHI 0.9063
172 ONL 0.9062
173 CEE 0.9060
174 M5E 0.9060
175 TYR 0.9059
176 DTY 0.9059
177 YRL 0.9057
178 F06 0.9056
179 ENO 0.9053
180 CLT 0.9052
181 AEF 0.9048
182 FHC 0.9046
183 A29 0.9046
184 23J 0.9042
185 TIH 0.9041
186 GUA 0.9035
187 KMH 0.9032
188 ISA 0.9029
189 88L 0.9026
190 P58 0.9025
191 XM0 0.9025
192 LMR 0.9022
193 DHS 0.9022
194 HIC 0.9021
195 OTR 0.9018
196 FBS 0.9018
197 L5V 0.9018
198 61M 0.9013
199 MEQ 0.9012
200 J9Q 0.9007
201 4NG 0.9007
202 AAS 0.9003
203 QUS 0.9001
204 HSM 0.8999
205 GP9 0.8997
206 FB1 0.8996
207 GZ3 0.8994
208 BPW 0.8993
209 TPO 0.8990
210 PC 0.8990
211 F90 0.8989
212 1GP 0.8989
213 OMD 0.8989
214 HX4 0.8988
215 GVG 0.8988
216 M45 0.8988
217 HHH 0.8986
218 RBJ 0.8983
219 7WG 0.8982
220 HC4 0.8981
221 XCZ 0.8981
222 GVM 0.8980
223 FOM 0.8979
224 4LR 0.8979
225 2AL 0.8977
226 MNN 0.8976
227 MPV 0.8976
228 52C 0.8974
229 2LP 0.8973
230 PHI 0.8972
231 33S 0.8971
232 BSX 0.8971
233 UA5 0.8971
234 COI 0.8970
235 OAA 0.8970
236 0V5 0.8969
237 4JT 0.8967
238 LNR 0.8966
239 HHI 0.8965
240 OEG 0.8962
241 S8V 0.8962
242 FP1 0.8961
243 261 0.8958
244 FF3 0.8957
245 MXN 0.8955
246 HQ9 0.8955
247 N2Z 0.8953
248 LYS 0.8952
249 1DJ 0.8951
250 RAT 0.8950
251 AOT 0.8950
252 YOF 0.8947
253 XXG 0.8946
254 2CL 0.8943
255 HJH 0.8941
256 PLU 0.8939
257 ALA ALA 0.8938
258 TZE 0.8937
259 FBJ 0.8934
260 2BX 0.8933
261 ABF 0.8933
262 PH3 0.8931
263 S24 0.8931
264 JZ7 0.8931
265 AMQ 0.8930
266 263 0.8930
267 DAH 0.8929
268 LDP 0.8928
269 IP8 0.8927
270 AHN 0.8926
271 LUQ 0.8926
272 AFS 0.8924
273 ZBT 0.8924
274 M74 0.8923
275 RNT 0.8921
276 JZ4 0.8919
277 R9J 0.8918
278 4PN 0.8918
279 1LN 0.8917
280 SYM 0.8914
281 1DU 0.8913
282 3LR 0.8911
283 DAL DAL 0.8911
284 BNL 0.8911
285 SHA 0.8909
286 3HG 0.8906
287 TZL 0.8905
288 PEQ 0.8903
289 SDF 0.8902
290 FA1 0.8901
291 KPA 0.8900
292 4LW 0.8899
293 PRY 0.8899
294 264 0.8897
295 R20 0.8896
296 IOM 0.8894
297 GBN 0.8893
298 JZ5 0.8892
299 PCS 0.8882
300 HDH 0.8882
301 FBW 0.8881
302 6DP 0.8881
303 2AS 0.8880
304 RUY 0.8878
305 LEU 0.8878
306 7N0 0.8877
307 APG 0.8877
308 JFJ 0.8874
309 PCA 0.8873
310 LFC 0.8872
311 XBT 0.8872
312 7VP 0.8872
313 CHH 0.8871
314 TAR 0.8868
315 ASP 0.8867
316 EDR 0.8864
317 AT3 0.8861
318 NSB 0.8861
319 ORN 0.8861
320 4TB 0.8861
321 4BF 0.8858
322 MSL 0.8858
323 NM3 0.8856
324 4LV 0.8855
325 K6H 0.8855
326 5XB 0.8853
327 ASC 0.8852
328 HSX 0.8851
329 FOC 0.8850
330 JZA 0.8850
331 DAS 0.8850
332 DE3 0.8849
333 7BC 0.8848
334 IOS 0.8847
335 51F 0.8846
336 41K 0.8844
337 Y4L 0.8842
338 5RP 0.8839
339 GZL 0.8839
340 3OC 0.8838
341 N9J 0.8836
342 PIY 0.8836
343 269 0.8836
344 1SH 0.8835
345 RP5 0.8833
346 GLY GLY 0.8831
347 MLT 0.8831
348 MP5 0.8830
349 HL5 0.8829
350 6TZ 0.8829
351 GLO 0.8828
352 1FD 0.8828
353 RNS 0.8826
354 7MK 0.8826
355 JF6 0.8824
356 XQI 0.8824
357 KVP 0.8821
358 URP 0.8819
359 FSG 0.8818
360 MTL 0.8817
361 54D 0.8814
362 0A9 0.8814
363 SOR 0.8809
364 ZON 0.8807
365 TAG 0.8807
366 M58 0.8806
367 152 0.8805
368 0OC 0.8805
369 IC9 0.8803
370 DIR 0.8795
371 SIN 0.8794
372 AX3 0.8793
373 TLA 0.8792
374 SYN 0.8790
375 BHH 0.8788
376 TZM 0.8787
377 5WZ 0.8787
378 AL0 0.8787
379 SS1 0.8786
380 449 0.8786
381 42J 0.8785
382 4CS 0.8784
383 3BU 0.8782
384 A3M 0.8778
385 LNO 0.8772
386 7MU 0.8771
387 XUL 0.8771
388 PRZ 0.8769
389 HNL 0.8769
390 3AL 0.8767
391 KMT 0.8764
392 T9G 0.8760
393 PKU 0.8758
394 1L5 0.8758
395 DHR 0.8756
396 0JD 0.8752
397 HNK 0.8751
398 ASN 0.8750
399 PSE 0.8748
400 ORO 0.8747
401 M6W 0.8743
402 0VT 0.8743
403 IXW 0.8740
404 NFM 0.8736
405 RUJ 0.8736
406 DZA 0.8735
407 HA5 0.8733
408 B2J 0.8732
409 ABN 0.8731
410 NLE 0.8730
411 8GL 0.8726
412 RB5 0.8726
413 GLL 0.8726
414 CRN 0.8724
415 RLG 0.8723
416 1WC 0.8721
417 129 0.8721
418 CFA 0.8719
419 4VY 0.8718
420 5FX 0.8716
421 15N 0.8716
422 2FT 0.8716
423 QSC 0.8713
424 HXY 0.8709
425 AS3 0.8707
426 LYL 0.8705
427 KVV 0.8704
428 OKG 0.8702
429 LAO 0.8702
430 DOR 0.8701
431 BCU 0.8701
432 CYX 0.8701
433 7A8 0.8699
434 MED 0.8696
435 9KH 0.8696
436 MZT 0.8693
437 HL4 0.8692
438 GCO 0.8690
439 56D 0.8687
440 DCO 0.8685
441 IAC 0.8685
442 MRZ 0.8682
443 P84 0.8681
444 FUD 0.8679
445 7Q1 0.8677
446 JRB 0.8675
447 TRP 0.8671
448 MET 0.8668
449 X1P 0.8667
450 C5A 0.8667
451 XSP 0.8661
452 NVU 0.8654
453 EV0 0.8654
454 CLU 0.8654
455 XYL 0.8652
456 4XV 0.8648
457 AHB 0.8642
458 54Z 0.8640
459 GZQ 0.8640
460 PYJ 0.8638
461 9BF 0.8637
462 S7A 0.8634
463 XLS 0.8632
464 505 0.8627
465 1P3 0.8627
466 HNH 0.8627
467 RTK 0.8625
468 XYH 0.8624
469 DHC 0.8621
470 SNE 0.8620
471 ISD 0.8619
472 TSR 0.8615
473 9SE 0.8604
474 QIC 0.8604
475 PG3 0.8603
476 IOP 0.8603
477 9CL 0.8598
478 RQD 0.8581
479 ICF 0.8578
480 7QS 0.8570
481 ZGL 0.8567
482 XRX 0.8567
483 SR1 0.8561
484 C82 0.8560
485 57O 0.8560
486 0QW 0.8559
487 APY 0.8550
488 EHM 0.8548
489 KP6 0.8547
490 B24 0.8543
491 PJL 0.8536
492 0BP 0.8517
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Q0H; Ligand: FOM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1q0h.bio1) has 49 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1Q0H; Ligand: FOM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1q0h.bio1) has 49 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1Q0H; Ligand: NDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1q0h.bio1) has 51 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1Q0H; Ligand: NDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1q0h.bio1) has 51 residues
No: Leader PDB Ligand Sequence Similarity
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