Receptor
PDB id Resolution Class Description Source Keywords
1C7R 2.5 Å EC: 5.3.1.9 THE CRYSTAL STRUCTURE OF PHOSPHOGLUCOSE ISOMERASE/AUTOCRINE FACTOR/NEUROLEUKIN COMPLEXED WITH ITS CARBOHYDRATE PHOSPHATI NHIBITORS AND ITS SUBSTRATE RECOGNITION MECHANISM GEOBACILLUS STEAROTHERMOPHILUS PHOSPHOGLUCOSE ISOMERASE/AUTOCRINE MOTILITY FACTOR/ NEUROLEUISOMERASE
Ref.: THE CRYSTAL STRUCTURE OF PHOSPHOGLUCOSE ISOMERASE/A MOTILITY FACTOR/NEUROLEUKIN COMPLEXED WITH ITS CARB PHOSPHATE INHIBITORS SUGGESTS ITS SUBSTRATE/RECEPTO RECOGNITION. J.BIOL.CHEM. V. 275 23154 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PA5 A:500;
Valid;
none;
submit data
246.109 C5 H11 O9 P C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1C7R 2.5 Å EC: 5.3.1.9 THE CRYSTAL STRUCTURE OF PHOSPHOGLUCOSE ISOMERASE/AUTOCRINE FACTOR/NEUROLEUKIN COMPLEXED WITH ITS CARBOHYDRATE PHOSPHATI NHIBITORS AND ITS SUBSTRATE RECOGNITION MECHANISM GEOBACILLUS STEAROTHERMOPHILUS PHOSPHOGLUCOSE ISOMERASE/AUTOCRINE MOTILITY FACTOR/ NEUROLEUISOMERASE
Ref.: THE CRYSTAL STRUCTURE OF PHOSPHOGLUCOSE ISOMERASE/A MOTILITY FACTOR/NEUROLEUKIN COMPLEXED WITH ITS CARB PHOSPHATE INHIBITORS SUGGESTS ITS SUBSTRATE/RECEPTO RECOGNITION. J.BIOL.CHEM. V. 275 23154 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1C7R - PA5 C5 H11 O9 P C([C@H]([C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1C7R - PA5 C5 H11 O9 P C([C@H]([C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1C7R - PA5 C5 H11 O9 P C([C@H]([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PA5; Similar ligands found: 50
No: Ligand ECFP6 Tc MDL keys Tc
1 R10 1 1
2 PA5 1 1
3 6PG 0.72973 1
4 LG6 0.72973 1
5 F6R 0.641026 0.916667
6 TG6 0.641026 0.916667
7 DER 0.638889 1
8 DEZ 0.638889 1
9 2FP 0.609756 0.942857
10 PAN 0.609756 0.702128
11 P6T 0.609756 0.942857
12 P6F 0.609756 0.942857
13 9C2 0.595238 0.6875
14 GOS 0.588235 0.914286
15 M2P 0.588235 0.914286
16 KD0 0.55814 1
17 I22 0.534884 0.916667
18 LXP 0.526316 0.837838
19 LX1 0.526316 0.861111
20 A5P 0.526316 0.837838
21 DX5 0.526316 0.837838
22 4TP 0.525 0.829268
23 O1B 0.520833 0.647059
24 S6P 0.512821 0.861111
25 HMS 0.512195 0.891892
26 5RP 0.512195 0.891892
27 5SP 0.512195 0.891892
28 52L 0.5 0.755556
29 DXP 0.5 0.861111
30 G6Q 0.5 0.970588
31 DG6 0.487805 0.815789
32 TX4 0.487805 0.659574
33 R5P 0.487805 0.970588
34 R52 0.487805 0.970588
35 3PG 0.486486 0.941176
36 HG3 0.485714 0.882353
37 DG2 0.475 0.911765
38 RUB 0.465116 0.888889
39 AGP 0.465116 0.704545
40 RES 0.465116 0.702128
41 XBP 0.465116 0.888889
42 M6R 0.465116 0.704545
43 1NT 0.45098 1
44 FQ8 0.444444 0.864865
45 LRY 0.44 0.75
46 H4P 0.4375 0.727273
47 SEP 0.425 0.707317
48 E4P 0.425 0.911765
49 22H 0.413793 0.693878
50 CAP 0.408163 0.918919
Similar Ligands (3D)
Ligand no: 1; Ligand: PA5; Similar ligands found: 222
No: Ligand Similarity coefficient
1 D6P 0.9375
2 PMV 0.9183
3 EGV 0.9169
4 S8G 0.9136
5 5LD 0.9131
6 M3L 0.9127
7 PTB 0.9125
8 ATX 0.9082
9 IPD 0.9071
10 HSA 0.9033
11 5WN 0.9025
12 IBP 0.9021
13 6C4 0.8996
14 1PS 0.8993
15 GFP 0.8978
16 SG3 0.8973
17 KYN 0.8973
18 2J3 0.8971
19 AZM 0.8966
20 IPE 0.8962
21 IJ6 0.8960
22 F6P 0.8959
23 ARG 0.8957
24 PLP 0.8953
25 ZON 0.8952
26 E8U 0.8947
27 ZZU 0.8944
28 CIR 0.8923
29 ILO 0.8922
30 ALA GLU 0.8909
31 5DL 0.8889
32 MZM 0.8885
33 GLY GLY GLY 0.8885
34 6DP 0.8880
35 MVH 0.8873
36 XI7 0.8864
37 VFG 0.8862
38 CXA 0.8858
39 DI9 0.8857
40 M3Q 0.8857
41 R8Y 0.8854
42 LIP 0.8852
43 58X 0.8846
44 2O8 0.8842
45 NPI 0.8841
46 IFG 0.8838
47 3XR 0.8835
48 DAR 0.8829
49 WT2 0.8828
50 AHL 0.8828
51 P4F 0.8828
52 U7E 0.8828
53 3W3 0.8822
54 3W6 0.8822
55 G14 0.8821
56 ZZA 0.8818
57 VM1 0.8818
58 S46 0.8817
59 EYY 0.8817
60 6HN 0.8814
61 0F3 0.8812
62 MLY 0.8809
63 DA3 0.8809
64 SYE 0.8802
65 GGB 0.8800
66 6MW 0.8800
67 DED 0.8796
68 EXY 0.8793
69 LEL 0.8788
70 IOS 0.8788
71 RGP 0.8787
72 DMA 0.8787
73 I2E 0.8780
74 D1G 0.8777
75 NFZ 0.8775
76 2OR 0.8770
77 IAC 0.8769
78 49P 0.8767
79 0OY 0.8766
80 SSC 0.8760
81 HAR 0.8760
82 G6P 0.8760
83 MQB 0.8756
84 R1P 0.8756
85 VUR 0.8755
86 BZS 0.8753
87 NGA 0.8752
88 5OY 0.8749
89 3LJ 0.8748
90 3GV 0.8747
91 MD6 0.8742
92 EYJ 0.8741
93 EF9 0.8738
94 6C9 0.8735
95 BG6 0.8735
96 CFA 0.8732
97 JX7 0.8732
98 4JK 0.8731
99 TZP 0.8730
100 ISJ 0.8729
101 PRO GLY 0.8723
102 YI6 0.8721
103 5TO 0.8720
104 PDC 0.8720
105 JFM 0.8718
106 PUE 0.8716
107 3VW 0.8714
108 GAE 0.8712
109 X1P 0.8710
110 M6P 0.8710
111 3IB 0.8709
112 EUH 0.8709
113 7QS 0.8707
114 EFF 0.8707
115 0OL 0.8704
116 UA5 0.8703
117 657 0.8702
118 DTR 0.8697
119 XRX 0.8697
120 XEN 0.8696
121 GGG 0.8695
122 6FR 0.8695
123 N4E 0.8694
124 F98 0.8692
125 2UZ 0.8690
126 BSA 0.8690
127 BGT 0.8689
128 67X 0.8689
129 CT0 0.8689
130 6FG 0.8688
131 MNP 0.8687
132 GF1 0.8686
133 D2G 0.8684
134 TBJ 0.8684
135 37E 0.8682
136 3CX 0.8681
137 TAG 0.8678
138 NK5 0.8676
139 IPR 0.8672
140 HLP 0.8669
141 5DS 0.8667
142 ZPF 0.8664
143 4I8 0.8663
144 REG 0.8662
145 HL6 0.8662
146 IN2 0.8662
147 NSG 0.8661
148 NAG 0.8660
149 IOP 0.8659
150 PAU 0.8655
151 EQA 0.8655
152 6C5 0.8649
153 CSN 0.8645
154 BGP 0.8643
155 KLS 0.8643
156 S3P 0.8640
157 5GT 0.8639
158 NMM 0.8639
159 4BX 0.8638
160 M5H 0.8636
161 PFL 0.8631
162 QIF 0.8630
163 KAP 0.8625
164 94E 0.8622
165 3VR 0.8621
166 TOH 0.8619
167 3KJ 0.8617
168 X6P 0.8616
169 AEP 0.8612
170 NLA 0.8611
171 RP3 0.8610
172 LLH 0.8609
173 3EB 0.8607
174 IPT 0.8607
175 I4D 0.8605
176 FZ0 0.8604
177 FWB 0.8603
178 ISC 0.8602
179 IS3 0.8602
180 PMP 0.8599
181 4R1 0.8599
182 NLG 0.8597
183 3VQ 0.8597
184 8U3 0.8595
185 BZQ 0.8595
186 JF4 0.8592
187 CRB 0.8591
188 1VK 0.8590
189 YE6 0.8588
190 FWD 0.8588
191 TA6 0.8588
192 F1X 0.8586
193 NVU 0.8584
194 BL0 0.8583
195 3C5 0.8583
196 ING 0.8581
197 2FY 0.8578
198 BZM 0.8577
199 3PO 0.8576
200 PD2 0.8576
201 G3M 0.8576
202 PPK 0.8574
203 GHQ 0.8573
204 AES 0.8568
205 MKN 0.8565
206 M7P 0.8563
207 KED 0.8560
208 15L 0.8559
209 5PV 0.8559
210 88L 0.8558
211 AOZ 0.8556
212 JVA 0.8555
213 HNM 0.8552
214 6R8 0.8550
215 7FF 0.8535
216 STV 0.8531
217 NIR 0.8529
218 2JJ 0.8529
219 CUW 0.8529
220 8VN 0.8526
221 OA1 0.8522
222 9KH 0.8508
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1C7R; Ligand: PA5; 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: 1c7r.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1C7R; Ligand: PA5; 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: 1c7r.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1C7R; Ligand: PA5; 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: 1c7r.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1C7R; Ligand: PA5; 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: 1c7r.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1C7R; Ligand: PA5; 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: 1c7r.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1C7R; Ligand: PA5; 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: 1c7r.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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