Receptor
PDB id Resolution Class Description Source Keywords
1POT 1.8 Å NON-ENZYME: TRANSPORT SPERMIDINE/PUTRESCINE-BINDING PROTEIN COMPLEXED WITH SPERMIDINE (MONOMER FORM) ESCHERICHIA COLI POLYAMINE TRANSPORT PROTEIN BINDING PROTEIN
Ref.: THE 1.8-A X-RAY STRUCTURE OF THE ESCHERICHIA COLI POTD PROTEIN COMPLEXED WITH SPERMIDINE AND THE MECHANISM OF POLYAMINE BINDING. PROTEIN SCI. V. 5 1984 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SPD A:350;
Valid;
none;
Kd = 3.2 uM
145.246 C7 H19 N3 C(CCN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1POT 1.8 Å NON-ENZYME: TRANSPORT SPERMIDINE/PUTRESCINE-BINDING PROTEIN COMPLEXED WITH SPERMIDINE (MONOMER FORM) ESCHERICHIA COLI POLYAMINE TRANSPORT PROTEIN BINDING PROTEIN
Ref.: THE 1.8-A X-RAY STRUCTURE OF THE ESCHERICHIA COLI POTD PROTEIN COMPLEXED WITH SPERMIDINE AND THE MECHANISM OF POLYAMINE BINDING. PROTEIN SCI. V. 5 1984 1996
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 1POT Kd = 3.2 uM SPD C7 H19 N3 C(CCNCCCN)....
2 1POY Kd = 3.2 uM SPD C7 H19 N3 C(CCNCCCN)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 1POT Kd = 3.2 uM SPD C7 H19 N3 C(CCNCCCN)....
2 1POY Kd = 3.2 uM SPD C7 H19 N3 C(CCNCCCN)....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 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 (2D)
Ligand no: 1; Ligand: SPD; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 SPD 1 1
2 TER 0.869565 1
3 37Z 0.85 0.913043
4 SPM 0.809524 1
5 NSD 0.75 0.913043
6 SS9 0.607143 0.958333
7 Q9C 0.545455 0.71875
8 OKP 0.515152 0.657143
9 SP5 0.514286 0.71875
10 FKS 0.5 0.638889
Similar Ligands (3D)
Ligand no: 1; Ligand: SPD; Similar ligands found: 160
No: Ligand Similarity coefficient
1 DIA 0.9929
2 D10 0.9899
3 HPL 0.9851
4 ODI 0.9825
5 OC9 0.9604
6 N8C 0.9591
7 OYA 0.9571
8 8AC 0.9556
9 KNA 0.9521
10 DKA 0.9521
11 CLT 0.9518
12 DE1 0.9497
13 FXY 0.9496
14 011 0.9486
15 HNE 0.9475
16 TEG 0.9446
17 OCA 0.9443
18 AE3 0.9438
19 BHL BHL 0.9349
20 BHL 0.9349
21 ENV 0.9349
22 7XA 0.9342
23 MLZ 0.9338
24 ENW 0.9320
25 PML 0.9316
26 OCT 0.9295
27 64Z 0.9273
28 GVA 0.9258
29 6XA 0.9233
30 9J6 0.9225
31 HE4 0.9225
32 MHN 0.9221
33 NWH 0.9220
34 AJ3 0.9218
35 U4G 0.9218
36 ACA 0.9214
37 M1T 0.9206
38 GLY GLY GLY 0.9199
39 NMH 0.9196
40 NTU 0.9176
41 KQY 0.9162
42 GC7 0.9149
43 16D 0.9145
44 LPA 0.9141
45 PG0 0.9129
46 GRQ 0.9115
47 4DI 0.9115
48 ARG 0.9112
49 OKS 0.9106
50 SSB 0.9098
51 XOG 0.9075
52 5XA 0.9070
53 HPN 0.9061
54 3OM 0.9060
55 AG2 0.9058
56 RED 0.9051
57 LYS 0.9047
58 EXY 0.9025
59 LPB 0.9015
60 4TB 0.9001
61 N6C 0.8997
62 ONH 0.8995
63 ORN 0.8992
64 DAR 0.8990
65 KAP 0.8976
66 CUW 0.8975
67 X1R 0.8971
68 NOT 0.8968
69 3OL 0.8967
70 SHV 0.8938
71 650 0.8931
72 HRG 0.8929
73 9OD 0.8926
74 NF3 0.8926
75 HAR 0.8923
76 SKJ 0.8916
77 MGB 0.8915
78 NPI 0.8901
79 SOR 0.8895
80 AHL 0.8892
81 OHJ 0.8892
82 58X 0.8891
83 MLY 0.8890
84 8SZ 0.8887
85 0L1 0.8887
86 SLZ 0.8886
87 JX7 0.8878
88 GGG 0.8870
89 A98 0.8866
90 2FM 0.8866
91 GGB 0.8863
92 CIR 0.8859
93 ALY 0.8851
94 HJD 0.8849
95 PUW 0.8845
96 1H1 0.8840
97 NLE 0.8839
98 EOU 0.8837
99 5UF 0.8836
100 ZE7 0.8833
101 1N5 0.8829
102 HPO 0.8822
103 MET 0.8808
104 ILO 0.8798
105 2J3 0.8797
106 UN1 0.8790
107 DHH 0.8786
108 DLY 0.8778
109 PRO GLY 0.8778
110 NLP 0.8761
111 492 0.8760
112 6HN 0.8758
113 7OD 0.8755
114 BOW 0.8750
115 KMT 0.8748
116 NNH 0.8747
117 LKA 0.8745
118 HC4 0.8743
119 DHM 0.8732
120 7BC 0.8724
121 YPN 0.8724
122 MPJ 0.8721
123 9GB 0.8720
124 DNN 0.8719
125 M3L 0.8715
126 GAL 0.8700
127 DIR 0.8694
128 GB5 0.8681
129 JFJ 0.8679
130 4JK 0.8672
131 WT2 0.8670
132 S7S 0.8668
133 ZZU 0.8667
134 7UC 0.8663
135 AKG 0.8663
136 3H2 0.8661
137 OOG 0.8658
138 2H5 0.8648
139 KPC 0.8635
140 TZE 0.8633
141 GLA 0.8632
142 E8U 0.8623
143 API 0.8623
144 MD0 0.8619
145 LUQ 0.8612
146 2FG 0.8611
147 V55 0.8609
148 FOM 0.8602
149 6C8 0.8602
150 MBG 0.8591
151 EGV 0.8589
152 PZI 0.8585
153 8GL 0.8563
154 5PV 0.8562
155 DZA 0.8559
156 DGL 0.8551
157 PEA 0.8547
158 M3P 0.8546
159 EV0 0.8524
160 5TO 0.8515
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1POT; Ligand: SPD; 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: 1pot.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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