Receptor
PDB id Resolution Class Description Source Keywords
1F8Y 2.4 Å EC: 2.4.2.6 CRYSTAL STRUCTURE ANALYSIS OF NUCLEOSIDE 2- DEOXYRIBOSYLTRANSFERASE COMPLEXED WITH 5-METHYL-2'- D EOXYPSEUDOURIDINE LACTOBACILLUS LEICHMANNII ACTIVE SITE ALPHA/BETA PROTEIN BIOCATALYST NUCLEOSIDE X-RAY CRYSTALLOGRAPHY TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF NUCLEOSIDE 2-DEOXYRIBOSYLTRANSFERASE IN NATIVE AND LIGAND-BOUND FORMS REVEAL ARCHITECTURE OF THE ACTIVE SITE. STRUCTURE V. 4 97 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5MD A:158;
B:2;
Valid;
Valid;
none;
none;
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242.229 C10 H14 N2 O5 CN1C=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1F8Y 2.4 Å EC: 2.4.2.6 CRYSTAL STRUCTURE ANALYSIS OF NUCLEOSIDE 2- DEOXYRIBOSYLTRANSFERASE COMPLEXED WITH 5-METHYL-2'- D EOXYPSEUDOURIDINE LACTOBACILLUS LEICHMANNII ACTIVE SITE ALPHA/BETA PROTEIN BIOCATALYST NUCLEOSIDE X-RAY CRYSTALLOGRAPHY TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF NUCLEOSIDE 2-DEOXYRIBOSYLTRANSFERASE IN NATIVE AND LIGAND-BOUND FORMS REVEAL ARCHITECTURE OF THE ACTIVE SITE. STRUCTURE V. 4 97 1996
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1F8Y - 5MD C10 H14 N2 O5 CN1C=C(C(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1F8Y - 5MD C10 H14 N2 O5 CN1C=C(C(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1F8Y - 5MD C10 H14 N2 O5 CN1C=C(C(=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 5MD; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 5MD 1 1
2 THM 0.411765 0.953125
3 LLT 0.411765 0.953125
Similar Ligands (3D)
Ligand no: 1; Ligand: 5MD; Similar ligands found: 219
No: Ligand Similarity coefficient
1 0DN 0.9950
2 B86 0.9915
3 MCY 0.9899
4 ID2 0.9894
5 5BT 0.9803
6 SCT 0.9750
7 DUR 0.9703
8 DCZ 0.9683
9 5UD 0.9657
10 MDR 0.9647
11 3D1 0.9603
12 THU 0.9558
13 3DT 0.9544
14 TMC 0.9538
15 ADN 0.9532
16 CTN 0.9512
17 URI 0.9511
18 F01 0.9510
19 BVD 0.9428
20 5AD 0.9419
21 DDU 0.9411
22 H7S 0.9388
23 GNG 0.9372
24 RAB 0.9366
25 2FD 0.9328
26 AD3 0.9325
27 CTD 0.9312
28 URD 0.9303
29 UA2 0.9301
30 FMC 0.9289
31 FMB 0.9288
32 NOS 0.9287
33 AR3 0.9287
34 XYA 0.9279
35 TBN 0.9274
36 CL9 0.9270
37 W29 0.9270
38 TYU 0.9265
39 IMH 0.9258
40 PRH 0.9257
41 HPR 0.9257
42 A 0.9247
43 TRP 0.9246
44 5FD 0.9243
45 1DA 0.9242
46 9DI 0.9228
47 PUR 0.9220
48 2TU 0.9220
49 ZIQ 0.9214
50 DCF 0.9205
51 3AD 0.9197
52 8HG 0.9197
53 CDY 0.9196
54 UUA 0.9185
55 I5A 0.9175
56 EXG 0.9169
57 5AE 0.9159
58 GEO 0.9156
59 SY4 0.9149
60 GMP 0.9140
61 ZYV 0.9138
62 EXR 0.9133
63 5NB 0.9118
64 DTR 0.9116
65 4UO 0.9111
66 ETV 0.9105
67 5ID 0.9102
68 8OX 0.9096
69 TAL 0.9092
70 2FA 0.9090
71 6CR 0.9081
72 7D7 0.9081
73 DBM 0.9075
74 5JT 0.9060
75 ZEB 0.9059
76 IMG 0.9055
77 GA2 0.9054
78 AOJ 0.9052
79 9UL 0.9049
80 NIY 0.9047
81 JY4 0.9046
82 3BH 0.9045
83 DHZ 0.9043
84 EXL 0.9028
85 FWD 0.9025
86 6J9 0.9022
87 4OG 0.9021
88 MTA 0.9011
89 TR7 0.9008
90 3TC 0.9003
91 RFZ 0.9000
92 8DA 0.9000
93 MTM 0.8999
94 TIA 0.8999
95 3L1 0.8998
96 BRD 0.8997
97 CWD 0.8987
98 MTP 0.8984
99 MG7 0.8984
100 0GA 0.8981
101 BWD 0.8977
102 ALN 0.8968
103 IWD 0.8955
104 PF1 0.8953
105 CC5 0.8949
106 BZM 0.8946
107 MTH 0.8945
108 5I5 0.8942
109 5CD 0.8929
110 FM1 0.8927
111 A4D 0.8926
112 YOF 0.8912
113 2UD 0.8907
114 AZZ 0.8902
115 TIZ 0.8898
116 9B3 0.8886
117 FTU 0.8884
118 M02 0.8883
119 MTI 0.8881
120 TCL 0.8879
121 ENG 0.8878
122 ITW 0.8877
123 3IL 0.8875
124 IOS 0.8873
125 HBI 0.8872
126 FM2 0.8871
127 ACE TRP 0.8870
128 LTT 0.8868
129 Q5M 0.8868
130 CMU 0.8866
131 LTN 0.8862
132 BB4 0.8859
133 EKH 0.8858
134 NCV 0.8849
135 PE2 0.8845
136 IAC 0.8842
137 IM4 0.8842
138 6MD 0.8840
139 JGB 0.8834
140 8U3 0.8830
141 DAH 0.8826
142 NNR 0.8826
143 MPU 0.8823
144 YF3 0.8822
145 CTE 0.8820
146 RVD 0.8816
147 X2M 0.8815
148 6DP 0.8815
149 4E5 0.8805
150 78U 0.8803
151 NVU 0.8802
152 CCV 0.8801
153 MCF 0.8791
154 B41 0.8788
155 4WF 0.8787
156 HWD 0.8784
157 2K8 0.8784
158 FB4 0.8780
159 7MX 0.8776
160 FTV 0.8773
161 DTE 0.8768
162 HO4 0.8765
163 JVQ 0.8761
164 M3Q 0.8761
165 W8G 0.8756
166 SBK 0.8755
167 TYR 0.8754
168 61M 0.8750
169 F52 0.8746
170 QMS 0.8746
171 N2Y 0.8744
172 L5E 0.8738
173 DBQ 0.8732
174 JA3 0.8723
175 MJ5 0.8715
176 MQB 0.8713
177 30G 0.8711
178 96Z 0.8707
179 0FR 0.8705
180 NPA 0.8703
181 QQX 0.8693
182 FPL 0.8693
183 CFA 0.8691
184 F16 0.8690
185 3IB 0.8680
186 QQY 0.8672
187 CH8 0.8671
188 3Y7 0.8669
189 26A 0.8667
190 IYR 0.8661
191 MP5 0.8661
192 D1Y 0.8655
193 ID8 0.8654
194 TSR 0.8651
195 1ZC 0.8646
196 M0N 0.8646
197 ACK 0.8644
198 SYE 0.8644
199 6J3 0.8640
200 7CI 0.8638
201 BQ2 0.8636
202 64C 0.8629
203 HNK 0.8614
204 RBV 0.8606
205 ZME 0.8602
206 J47 0.8601
207 ZON 0.8600
208 46M 0.8598
209 GRX 0.8592
210 NWD 0.8587
211 MQG 0.8573
212 TO1 0.8565
213 9F8 0.8556
214 EN1 0.8553
215 JF1 0.8553
216 XEN 0.8544
217 ER6 0.8538
218 JVN 0.8525
219 BNX 0.8523
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1F8Y; Ligand: 5MD; 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: 1f8y.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1F8Y; Ligand: 5MD; 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: 1f8y.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1F8Y; Ligand: 5MD; 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: 1f8y.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1F8Y; Ligand: 5MD; 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: 1f8y.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1F8Y; Ligand: 5MD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1f8y.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1F8Y; Ligand: 5MD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1f8y.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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