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Receptor
PDB id Resolution Class Description Source Keywords
3TTM 2 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF SPUD IN COMPLEX WITH PUTRESCINE PSEUDOMONAS AERUGINOSA POLYAMINE BINDING PUTRESCINE TRANSPORT PROTEIN
Ref.: STRUCTURAL BASIS OF SUBSTRATE BINDING SPECIFICITY R BY THE CRYSTAL STRUCTURES OF POLYAMINE RECEPTORS SP SPUE FROM PSEUDOMONAS AERUGINOSA J.MOL.BIOL. V. 416 697 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PUT A:367;
B:367;
Valid;
Valid;
none;
none;
Kd = 3 nM
88.151 C4 H12 N2 C(CCN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TTM 2 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF SPUD IN COMPLEX WITH PUTRESCINE PSEUDOMONAS AERUGINOSA POLYAMINE BINDING PUTRESCINE TRANSPORT PROTEIN
Ref.: STRUCTURAL BASIS OF SUBSTRATE BINDING SPECIFICITY R BY THE CRYSTAL STRUCTURES OF POLYAMINE RECEPTORS SP SPUE FROM PSEUDOMONAS AERUGINOSA J.MOL.BIOL. V. 416 697 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3TTM Kd = 3 nM PUT C4 H12 N2 C(CCN)CN
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 1A99 Kd = 2 uM PUT C4 H12 N2 C(CCN)CN
2 4JDF Kd = 6.4 mM SPD C7 H19 N3 C(CCNCCCN)....
3 3TTN Kd = 14.3 nM SPD C7 H19 N3 C(CCNCCCN)....
4 3TTM Kd = 3 nM PUT C4 H12 N2 C(CCN)CN
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 1A99 Kd = 2 uM PUT C4 H12 N2 C(CCN)CN
2 4JDF Kd = 6.4 mM SPD C7 H19 N3 C(CCNCCCN)....
3 3TTN Kd = 14.3 nM SPD C7 H19 N3 C(CCNCCCN)....
4 3TTM Kd = 3 nM PUT C4 H12 N2 C(CCN)CN
5 1POT Kd = 3.2 uM SPD C7 H19 N3 C(CCNCCCN)....
6 1POY Kd = 3.2 uM SPD C7 H19 N3 C(CCNCCCN)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PUT; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 PUT 1 1
2 13D 0.666667 0.8
3 N2P 0.636364 0.947368
4 16D 0.636364 0.9
5 DIA 0.583333 0.9
6 AML 0.5 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TTM; Ligand: PUT; Similar sites found with APoc: 247
This union binding pocket(no: 1) in the query (biounit: 3ttm.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1GT4 UNA None
2 2FNU PMP UD1 1.44509
3 1M0W 3GC 1.44509
4 2FFU UDP 1.7341
5 5NDF LU2 1.7341
6 5AJP UDP 1.7341
7 5NDF UDP 1.7341
8 3GFZ FMN 1.7341
9 1MXH DHF 1.81159
10 1MXH NAP 1.81159
11 2WD7 NAP 1.86567
12 4AG8 AXI 1.89873
13 3E4O SIN 1.96721
14 2PVN P63 2.02312
15 1P3D ANP 2.02312
16 1J0D 5PA 2.05279
17 5OYH T99 2.07254
18 4E5N NAD 2.12121
19 2BGM NAJ 2.15827
20 3SRV S19 2.16606
21 6F9Q NAD 2.20588
22 6AMI TRP 2.31214
23 2CDC XYP 2.31214
24 2CDC NAP 2.31214
25 2CDC XYS 2.31214
26 3S6T OAN 2.31214
27 3GFB NAD 2.31214
28 1HKU NAD 2.31214
29 4XYB NDP 2.31214
30 2IXB NAD 2.31214
31 6AM8 PLT 2.31214
32 3V1Y NAD 2.37389
33 4BJ8 BTN 2.38095
34 4NBU CAA 2.4
35 2CFC NAD 2.4
36 4MOB COA 2.40964
37 3ZV6 NAD 2.4911
38 5I7S E9P 2.53623
39 5I7S NAD 2.53623
40 4H69 10Y 2.57732
41 2V2V V12 2.58303
42 2BPM 529 2.589
43 3TXO 07U 2.60116
44 4UAL 3FV 2.60116
45 1RM0 NAI 2.60116
46 1KEW TYD 2.60116
47 2TPL HPP 2.60116
48 1Q20 PLO 2.67559
49 1Q20 A3P 2.67559
50 3BY9 SIN 2.69231
51 1V35 NAI 2.73556
52 4BUZ OAD 2.84553
53 1GQ2 NAP 2.89017
54 3ZS9 ADP ALF 2.89017
55 6G33 5ID 2.94985
56 4GLL NAD 2.96736
57 3RE4 TO1 3.10078
58 1ZTH ADP 3.10078
59 3OJF IMJ 3.11284
60 1DAK DPU 3.125
61 1DAK ADP 3.125
62 1GQY ACP 3.15789
63 4NMC 2OP 3.17919
64 3IHB GLU 3.17919
65 5L9G MO0 3.17919
66 1PIG AGL GLC HMC AGL GLC BGC 3.17919
67 6EJ7 UDX 3.17919
68 1V8B NAD 3.17919
69 1QO8 FAD 3.17919
70 3IP8 B85 3.22581
71 5JE8 NAD 3.31126
72 2PZM UDP 3.33333
73 2PZM NAD 3.33333
74 2QDT I38 3.34572
75 3QDC RET 3.34728
76 1ZEM NAD 3.43511
77 1LTH NAD 3.44828
78 4D42 W0I 3.46821
79 4D42 NAP 3.46821
80 2GMV PEP 3.46821
81 2GMV UN8 3.46821
82 3FRK TQP 3.46821
83 2B4R NAD 3.47826
84 5JSJ 6PD 3.6036
85 1VJY 460 3.63036
86 2Z5F A3P 3.69128
87 5CPR SAM 3.73134
88 4IZY 1J2 3.75723
89 4YWV SSN 3.75723
90 5DN9 NAD 3.75723
91 5ZFJ 9BF 3.96476
92 4C1Q SAH 4
93 4Y1B NAP 4.04624
94 3VRY B43 4.04624
95 1GA8 DEL 4.18006
96 1GA8 UPF 4.18006
97 3VPH NAD 4.19355
98 3VPH OXM 4.19355
99 3R7F CP 4.27632
100 2C5A GDC 4.33526
101 2C5A NAD 4.33526
102 3QXC ATP 4.33526
103 5Z20 NAI 4.33526
104 4RQU NAD 4.33526
105 4Q9N 0WE 4.36242
106 1LDN NAD 4.43038
107 5A89 FMN 4.48718
108 5A89 ADP 4.48718
109 4H6U ACO 4.5
110 3JQ9 NAP 4.51389
111 3JQA NAP 4.51389
112 3JQ7 NAP 4.51389
113 4CM4 NAP 4.51389
114 4CMI NAP 4.51389
115 3JQ8 NAP 4.51389
116 5JDC NAP 4.51389
117 3BMN NAP 4.51389
118 3JQG NAP 4.51389
119 3BMO NAP 4.51389
120 4CM8 NAP 4.51389
121 5JDI NAP 4.51389
122 5JCJ NAP 4.51389
123 3JQF NAP 4.51389
124 3BMQ NAP 4.51389
125 4CM9 NAP 4.51389
126 3JQB NAP 4.51389
127 4CME NAP 4.51389
128 4CLR NAP 4.51389
129 3H4V NAP 4.51389
130 5K6A NAP 4.51389
131 4CLO NAP 4.51389
132 3H4V DVP 4.51389
133 1M5B BN1 4.56274
134 2VHW NAI 4.62428
135 3KB6 NAD 4.79042
136 5T9F TYR 4.79705
137 5T9F NAP 4.79705
138 1PJS NAD 4.91329
139 5ZQY AR6 4.91329
140 1U7T TDT 4.98084
141 4OUC 5ID 5.04202
142 6G34 5ID 5.04202
143 2WSB NAD 5.11811
144 1EQ2 NAP 5.16129
145 5W19 9TD 5.20231
146 1Y0G 8PP 5.2356
147 3CIF G3H 5.29248
148 3CIF NAD 5.29248
149 1CF2 NAP 5.34125
150 1ZUA TOL 5.36278
151 1ZUA NAP 5.36278
152 2UZ2 BTN 5.38462
153 1OZH HE3 5.49133
154 3G5N PB2 5.49133
155 1BW9 NAD 5.49133
156 5GZ9 ANP 5.57377
157 2EWM NAD 5.62249
158 1MQ0 BRD 5.71429
159 1H74 ILE 5.74324
160 4M52 M52 5.78035
161 3OND ADN 5.78035
162 3OND NAD 5.78035
163 2Q28 ADP 5.78035
164 2BEK ATP 5.83658
165 2NU8 COA 5.92783
166 2GWH A3P 6.04027
167 3HRD FAD 6.06061
168 3PTG 932 6.06936
169 3ABI NAD 6.06936
170 4ZGS NAD 6.06936
171 3VZS CAA 6.22568
172 3VZS NAP 6.22568
173 2DBZ NAP 6.28743
174 6CEP OXM 6.28743
175 6CEP NAD 6.28743
176 1EZ4 NAD 6.28931
177 9LDB NAD 6.3253
178 2YNC YNC 6.35838
179 3B1J NAD 6.48968
180 1QG6 TCL 6.51341
181 1QG6 NAD 6.51341
182 4R5Z PMP 6.53951
183 5G5G FAD 6.55022
184 5O42 NAD 6.56934
185 5O42 BGC 6.56934
186 5O42 9JW 6.56934
187 5V2J 7WV 6.6474
188 5V2J UDP 6.6474
189 1EU8 TRE 6.6474
190 1RE8 BD2 6.6474
191 2IO8 ADP 6.6474
192 4JR7 GNP 6.68449
193 2GU8 796 6.82493
194 5HES 032 6.84039
195 1EKO NAP 6.98413
196 1EKO I84 6.98413
197 2CJF RP4 7.00637
198 3BFX A3P 7.09459
199 1OMO NAD 7.14286
200 1X7D ORN 7.22543
201 1X7D NAD 7.22543
202 3FIU POP 7.22892
203 1GDE GLU PLP 7.51445
204 2H04 4UN 7.66773
205 1WBI BTN 7.75194
206 1UU1 PMP HSA 8.0597
207 6A0S HSE 8.13253
208 6A0S NDP 8.13253
209 4X7Q 3YR 8.33333
210 3KAL HGS 8.3815
211 1AQU A3P 8.41751
212 1IY8 NAD 8.61423
213 5VGR GDP 8.67052
214 5XCZ GLC BGC 8.67052
215 2B9F ADP 8.95954
216 2B9I ADP 8.95954
217 2B9H ADP 8.95954
218 1HDC CBO 9.05512
219 3L9R L9Q 9.18367
220 4TUO SIA GAL SIA GLC NGA 9.34579
221 4UIN QI9 9.34579
222 3OIG IMJ 9.3985
223 2HI4 BHF 9.53757
224 5HQ0 LZ9 9.60265
225 1FFU FAD 9.82659
226 4KYS VIB 9.82659
227 4ZOH FAD 10.119
228 3CY2 MB9 10.5096
229 6BII NAP 10.5105
230 3M31 FAD 10.6936
231 1W6U NAP 10.9272
232 1N62 FAD 11.4583
233 5AOV NAP 11.9048
234 4RFM 3P6 12.0301
235 4IEN COA 12.2699
236 4J7Q B7N 12.3123
237 1V0O INR 12.5
238 4BJH PAL 13.0058
239 2H29 DND 13.2275
240 1RM6 FAD 14.2857
241 5Y80 IRE 16.2162
242 3MKN DNB 16.4557
243 3GGO NAI 17.1975
244 3VHH VHH 20.3252
245 5Z84 PGV 32.6087
246 6HLY G9Z 34.8974
247 5YSE BGC BGC BGC GLC 44.5087
Pocket No.: 2; Query (leader) PDB : 3TTM; Ligand: PUT; Similar sites found with APoc: 70
This union binding pocket(no: 2) in the query (biounit: 3ttm.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 2ZJ1 NAD 1.44509
2 2ZJ1 ARJ 1.44509
3 6F6J SIN 1.7341
4 6F6J CUW 1.7341
5 5XVS UDP 1.7341
6 1NYT NAP 1.84502
7 2VZ0 NAP 1.86567
8 2VZ0 D64 1.86567
9 3RJ5 NAD 1.9685
10 5YJS SAL 2.02312
11 4V24 GYR 2.02312
12 1I2B USQ 2.31214
13 1I2B UPG 2.31214
14 1I2B NAD 2.31214
15 1X8J A3P 2.31214
16 2IXB A2G 2.31214
17 4BCM T7Z 2.65781
18 3B1Q NOS 2.76074
19 3ORF NAD 2.78884
20 6GWR FEW 2.85714
21 3VC1 SAH 2.88462
22 2C6Q NDP 2.89017
23 1XE7 GUN 2.95567
24 4BNU 9KQ 2.97398
25 3AFN NAP 3.10078
26 1ZP9 ATP 3.10078
27 2I3G NAP 3.125
28 1OPK P16 3.17919
29 5FB3 NDP 3.25444
30 2X52 GYT 3.50877
31 3KN5 ANP 3.69231
32 4WNP 3RJ 3.83275
33 3O9Z AKG 3.84615
34 3O9Z NAD 3.84615
35 1Z82 NDP 3.8806
36 5D85 P1T 3.98773
37 6CMJ F6J 4.36137
38 5CAE COA 4.62428
39 1F6D UDP 4.91329
40 3KRL KRL 5.07463
41 3V8S 0HD 5.49133
42 5YU3 PRO 5.52326
43 5YU3 NAD 5.52326
44 1GZ4 ATP 5.78035
45 2DKN NAI 5.88235
46 5EFQ ADP 5.97015
47 3W6G FLC 6.01852
48 1Z45 NAD 6.06936
49 3ZQ6 ADP ALF 6.17284
50 4BVA NDP 6.26866
51 1RJD SAM 6.28743
52 3A06 FOM 6.35838
53 3A06 NDP 6.35838
54 2JJK R15 6.50888
55 2RHQ GAX 6.6474
56 5WO4 B7V 6.95364
57 3QV1 NAD 8.60534
58 1L8N GCW 8.67052
59 4F9C 0SX 9.02778
60 4KXQ APR 11.7438
61 4ZCC FAD 11.9048
62 1J3R 6PG 12.1053
63 3ZLR X0B 13.9241
64 5CSD ACD 15.0943
65 2ZPT A3P 15.2542
66 5ODQ 9SB 15.7609
67 5YJF SAH 20.7746
68 2GC0 PAN 23.9362
69 3WBF NAP 26.8852
70 5ZCO PGV 32.6087
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