Receptor
PDB id Resolution Class Description Source Keywords
3a9z 1.55 Å EC: 4.4.1.16 CRYSTAL STRUCTURE OF RAS SELENOCYSTEINE LYASE IN COMPLEX WIT SELENOPROPIONATE RATTUS NORVEGICUS SELENOCYSTEINE PLP LYASE PYRIDOXAL PHOSPHATE TRANSFERASE
Ref.: REACTION MECHANISM AND MOLECULAR BASIS FOR SELENIUM DISCRIMINATION OF SELENOCYSTEINE LYASE. J.BIOL.CHEM. V. 285 12133 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLP A:501;
B:501;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
247.142 C8 H10 N O6 P Cc1c(...
PO4 A:504;
A:505;
 Invalid;
Invalid;
 none;
none;
 submit data
94.971 O4 P [O-]P...
SLP A:502;
B:503;
 Valid;
Valid;
 none;
none;
 submit data
153.039 C3 H6 O2 Se C(C[S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3A9Y 1.85 Å EC: 4.4.1.16 CRYSTAL STRUCTURE OF RAT SELENOCYSTEINE LYASE IN COMPLEX WIT CYSTEINE RATTUS NORVEGICUS SELENOCYSTEINE PLP LYASE PYRIDOXAL PHOSPHATE TRANSFERASE
Ref.: REACTION MECHANISM AND MOLECULAR BASIS FOR SELENIUM DISCRIMINATION OF SELENOCYSTEINE LYASE. J.BIOL.CHEM. V. 285 12133 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3A9Y Ki = 9.6 mM CYS C3 H7 N O2 S C([C@@H](C....
2 3A9Z - SLP C3 H6 O2 Se C(C[SeH])C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3A9Y Ki = 9.6 mM CYS C3 H7 N O2 S C([C@@H](C....
2 3A9Z - SLP C3 H6 O2 Se C(C[SeH])C....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6M4J - CYS C3 H7 N O2 S C([C@@H](C....
2 3A9Y Ki = 9.6 mM CYS C3 H7 N O2 S C([C@@H](C....
3 3A9Z - SLP C3 H6 O2 Se C(C[SeH])C....
4 4R5F - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
5 4HVK - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SLP; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 SLP 1 1
2 SIN 0.5625 0.6
3 3OH 0.5 0.75
4 BAL 0.473684 0.625
Similar Ligands (3D)
Ligand no: 1; Ligand: SLP; Similar ligands found: 262
No: Ligand Similarity coefficient
1 MTG 1.0000
2 BUA 0.9983
3 BU4 0.9970
4 SAR 0.9928
5 MTD 0.9925
6 MSF 0.9908
7 BMD 0.9898
8 DSS 0.9804
9 BUB 0.9794
10 ITU 0.9774
11 EGD 0.9772
12 AOA 0.9725
13 BUQ 0.9722
14 FW5 0.9599
15 PE9 0.9591
16 LEA 0.9559
17 ISU 0.9539
18 ABU 0.9532
19 PUT 0.9519
20 XAP 0.9517
21 NBN 0.9512
22 3CL 0.9506
23 CYS 0.9501
24 AML 0.9451
25 PYR 0.9447
26 ETX 0.9438
27 3HL 0.9438
28 PPI 0.9437
29 A8C 0.9434
30 GOL 0.9433
31 FAH 0.9433
32 4HA 0.9430
33 GLY 0.9425
34 BBU 0.9417
35 SSN 0.9411
36 MLI 0.9410
37 R3W 0.9400
38 ETM 0.9396
39 MLA 0.9387
40 MZ0 0.9387
41 1SP 0.9374
42 C5J 0.9372
43 LAC 0.9371
44 7CL 0.9357
45 NIE 0.9348
46 GLV 0.9345
47 2OP 0.9345
48 F3V 0.9344
49 C2N 0.9338
50 OXM 0.9338
51 1BP 0.9337
52 HVB 0.9334
53 CRD 0.9332
54 SER 0.9331
55 9A7 0.9328
56 OXL 0.9326
57 3SS 0.9325
58 DSN 0.9324
59 NVI 0.9321
60 DCY 0.9320
61 OXD 0.9315
62 FJO 0.9308
63 GOA 0.9308
64 ALA 0.9305
65 BXA 0.9303
66 P2D 0.9300
67 13D 0.9295
68 1KA 0.9294
69 NMU 0.9290
70 COM 0.9290
71 PXO 0.9285
72 9A4 0.9285
73 DMG 0.9283
74 DAL 0.9282
75 03W 0.9280
76 HIU 0.9279
77 AAE 0.9278
78 ALQ 0.9274
79 2KT 0.9271
80 SGL 0.9269
81 HVQ 0.9266
82 BXO 0.9263
83 DGY 0.9259
84 BVG 0.9258
85 SMB 0.9258
86 F50 0.9249
87 9SB 0.9246
88 ABA 0.9239
89 3PY 0.9239
90 BVC 0.9235
91 3BB 0.9230
92 IVA 0.9228
93 IPU 0.9228
94 HUI 0.9226
95 HSM 0.9225
96 39J 0.9221
97 AKR 0.9216
98 HV2 0.9201
99 3HR 0.9189
100 J3K 0.9185
101 KG7 0.9179
102 A3B 0.9176
103 PYZ 0.9171
104 TAU 0.9171
105 61G 0.9167
106 MGX 0.9165
107 HGY 0.9162
108 HAE 0.9155
109 0CL 0.9154
110 HBR 0.9148
111 E60 0.9145
112 69O 0.9144
113 DBB 0.9144
114 MEU 0.9143
115 ATO 0.9132
116 TF4 0.9131
117 HBS 0.9130
118 BYZ 0.9130
119 EFS 0.9127
120 AMC 0.9126
121 DXX 0.9121
122 2RA 0.9116
123 MLM 0.9112
124 CP2 0.9110
125 2EZ 0.9102
126 P7I 0.9101
127 3GR 0.9101
128 TSZ 0.9099
129 ATQ 0.9093
130 JZ6 0.9086
131 ES3 0.9079
132 CSS 0.9077
133 1CB 0.9077
134 5KX 0.9072
135 MZW 0.9061
136 DTL 0.9053
137 1DH 0.9039
138 HSE 0.9038
139 CHT 0.9030
140 CEJ 0.9030
141 4MZ 0.9028
142 NHY 0.9026
143 8X3 0.9026
144 AGU 0.9018
145 NAK 0.9016
146 5MP 0.9008
147 HGW 0.9008
148 XPO 0.9006
149 GXV 0.9004
150 POA 0.9002
151 2HE 0.9001
152 BUO 0.9000
153 3MT 0.8996
154 9YL 0.8989
155 24T 0.8972
156 GBL 0.8972
157 25T 0.8971
158 SYN 0.8955
159 D2P 0.8953
160 DTU 0.8949
161 OSM 0.8946
162 2MZ 0.8940
163 1MZ 0.8937
164 ABN 0.8936
165 OPE 0.8935
166 THR 0.8932
167 VX 0.8928
168 DTT 0.8926
169 LER 0.8923
170 NVA 0.8923
171 HAI 0.8919
172 PIH 0.8915
173 MR3 0.8915
174 OHG 0.8913
175 23W 0.8909
176 MPD 0.8903
177 1MR 0.8900
178 GXE 0.8900
179 2IM 0.8900
180 1DU 0.8897
181 TCV 0.8895
182 HE2 0.8895
183 2HA 0.8894
184 A20 0.8892
185 9CL 0.8891
186 VKC 0.8884
187 MMQ 0.8884
188 IHG 0.8883
189 MRY 0.8878
190 TB6 0.8877
191 8CL 0.8868
192 TP5 0.8867
193 PGA 0.8863
194 PYF 0.8855
195 JBN 0.8845
196 PY7 0.8843
197 IPH 0.8840
198 7VD 0.8840
199 PRO 0.8838
200 PYM 0.8838
201 HYN 0.8837
202 TB0 0.8837
203 282 0.8836
204 HHN 0.8833
205 PYJ 0.8829
206 HX2 0.8826
207 KIV 0.8823
208 2PC 0.8814
209 NBE 0.8812
210 TTO 0.8810
211 BP9 0.8804
212 TZC 0.8801
213 CP 0.8795
214 FUM 0.8794
215 S0H 0.8792
216 VAL 0.8787
217 PAE 0.8786
218 HCS 0.8783
219 HDA 0.8782
220 DAB 0.8781
221 MMU 0.8769
222 ALO 0.8761
223 9X7 0.8759
224 HGQ 0.8756
225 MBN 0.8749
226 QPT 0.8742
227 273 0.8741
228 NIS 0.8740
229 4JU 0.8733
230 DQY 0.8732
231 XIX 0.8729
232 PRS 0.8728
233 C21 0.8720
234 DCL 0.8710
235 NMG 0.8709
236 JAB 0.8708
237 BML 0.8704
238 VSO 0.8704
239 B24 0.8704
240 ORN 0.8699
241 5Y9 0.8699
242 2MH 0.8680
243 MAK 0.8679
244 4AP 0.8670
245 SMV 0.8670
246 SHO 0.8667
247 PEA 0.8641
248 H95 0.8641
249 4MV 0.8636
250 3AP 0.8635
251 H3M 0.8630
252 ODV 0.8627
253 278 0.8626
254 FOA 0.8621
255 CRS 0.8616
256 PG3 0.8613
257 EDO 0.8594
258 HEW 0.8571
259 HHQ 0.8568
260 B3R 0.8559
261 PYC 0.8554
262 M3T 0.8550
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3A9Y; Ligand: CYS; 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: 3a9y.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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