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
Ligand no: 1; Ligand: PA5; Similar ligands found: 46
No: Ligand ECFP6 Tc MDL keys Tc
1 R10 1 1
2 PA5 1 1
3 LG6 0.72973 1
4 6PG 0.72973 1
5 F6R 0.641026 0.916667
6 TG6 0.641026 0.916667
7 DEZ 0.638889 1
8 DER 0.638889 1
9 P6F 0.609756 0.942857
10 PAN 0.609756 0.702128
11 P6T 0.609756 0.942857
12 2FP 0.609756 0.942857
13 M2P 0.588235 0.914286
14 KD0 0.55814 1
15 I22 0.534884 0.916667
16 LXP 0.526316 0.837838
17 DX5 0.526316 0.837838
18 LX1 0.526316 0.861111
19 A5P 0.526316 0.837838
20 4TP 0.525 0.829268
21 S6P 0.512821 0.861111
22 HMS 0.512195 0.891892
23 5RP 0.512195 0.891892
24 5SP 0.512195 0.891892
25 G6Q 0.5 0.970588
26 52L 0.5 0.755556
27 DXP 0.5 0.861111
28 TX4 0.487805 0.659574
29 R52 0.487805 0.970588
30 DG6 0.487805 0.815789
31 R5P 0.487805 0.970588
32 3PG 0.486486 0.941176
33 HG3 0.485714 0.882353
34 DG2 0.475 0.911765
35 AGP 0.465116 0.704545
36 RUB 0.465116 0.888889
37 XBP 0.465116 0.888889
38 RES 0.465116 0.702128
39 M6R 0.465116 0.704545
40 1NT 0.45098 1
41 LRY 0.44 0.75
42 H4P 0.4375 0.727273
43 SEP 0.425 0.707317
44 E4P 0.425 0.911765
45 22H 0.413793 0.693878
46 CAP 0.408163 0.918919
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1C7R; Ligand: PA5; Similar sites found: 202
This union binding pocket(no: 1) in the query (biounit: 1c7r.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2POC BG6 0.0008658 0.43077 1.08992
2 1GPJ CIT 0.004704 0.41501 1.23762
3 3ZPG 5GP 0.002425 0.45023 1.3089
4 1Q3Q ANP 0.002215 0.45975 1.34831
5 3OIG NAD 0.03425 0.40789 1.50376
6 1KOL NAD 0.003233 0.43502 1.50754
7 2ZWS PLM 0.004641 0.45521 1.57303
8 1GJW GLC 0.003896 0.42509 1.57303
9 4M51 BEZ 0.006907 0.42076 1.63934
10 2YVF FAD 0.006106 0.44227 1.71569
11 2YVF NAD 0.006323 0.44227 1.71569
12 4M5P 23W 0.0009191 0.46136 1.7199
13 4M5P MLA 0.01961 0.41348 1.7199
14 4WBD CIT 0.005875 0.42402 1.79775
15 2C7G ODP 0.02 0.41578 1.79775
16 4WBD ADP 0.006644 0.41476 1.79775
17 2C7G FAD 0.03422 0.406 1.79775
18 4IVN BMX 0.001526 0.40703 1.79856
19 2ZJ3 G6P 0.001249 0.45755 1.86667
20 2EB5 OXL 0.01188 0.41013 1.87266
21 1P9P SAH 0.004725 0.41031 1.91571
22 2XUM OGA 0.003219 0.42207 2.00573
23 4G28 0W8 0.002483 0.40918 2.01342
24 2DKH FAD 0.01609 0.40242 2.02247
25 2DKH 3HB 0.02296 0.40196 2.02247
26 3FPZ AHZ 0.02093 0.42667 2.14724
27 4USQ FAD 0.002905 0.43463 2.21607
28 1NZY BCA 0.001699 0.43614 2.23048
29 3Q9T FAY 0.004601 0.43074 2.24719
30 3V1U NAD 0.004555 0.41579 2.24719
31 2WQP WQP 0.005982 0.41249 2.29226
32 1PEA ACM 0.006866 0.42088 2.33766
33 2CSN CKI 0.001205 0.43904 2.3569
34 2NCD ADP 0.003442 0.41469 2.38095
35 4AMV F6R 0.003325 0.40105 2.47191
36 1YOE RIB 0.001001 0.42437 2.48447
37 2B7N NTM 0.005346 0.40679 2.5641
38 3VHZ L2P GLC MAN SGA 0.03228 0.41291 2.67176
39 1ZFJ IMP 0.01009 0.42099 2.69663
40 2XVE FAD 0.0453 0.40356 2.69663
41 4LWA Q13 0.009785 0.41782 2.75482
42 1NML CIT 0.002062 0.41787 2.76074
43 3HZL 6PC 0.01383 0.41357 2.77078
44 2XK9 XK9 0.01102 0.41042 2.79503
45 2H6B 3C4 0.02845 0.40894 2.8
46 4N02 FNR 0.002938 0.45116 2.80112
47 2Y0I AKG 0.001214 0.43336 2.84091
48 1TDF FAD 0.003175 0.44543 2.8481
49 1TDF NAP 0.03783 0.41163 2.8481
50 4B7E OGA 0.002485 0.42052 2.86533
51 3P3N AKG 0.008133 0.40481 2.86533
52 3TKA CTN 0.002512 0.48207 2.88184
53 2C31 TZD 0.009685 0.43943 2.92135
54 2HGS ADP 0.001681 0.42807 2.92135
55 2C31 ADP 0.03958 0.41072 2.92135
56 4DQ2 BTX 0.001355 0.44164 3.04878
57 4USS GSH 0.004576 0.40408 3.07692
58 4HZO COA 0.002176 0.41694 3.14465
59 2IMP NAI 0.01752 0.43025 3.14607
60 1R37 NAD 0.01204 0.40879 3.17003
61 1V1A KDG 0.002872 0.41614 3.23625
62 3MAG 3MA 0.01319 0.42226 3.25733
63 4RJK PYR 0.006134 0.42315 3.37079
64 1ZED PNP 0.006853 0.41416 3.37079
65 3QV9 QV7 0.005672 0.40573 3.37079
66 1Y75 NAG 0.002832 0.40698 3.38983
67 3CBG FER 0.002495 0.44963 3.44828
68 3CBG 4FE 0.03478 0.40072 3.44828
69 1WGC SIA GAL BGC 0.002559 0.45841 3.50877
70 2WGC SIA GAL BGC 0.004878 0.45405 3.50877
71 1Z42 HBA 0.002757 0.47191 3.5503
72 1Z44 NPO 0.01477 0.42835 3.5503
73 1Y42 TYR 0.001378 0.42483 3.57143
74 2YBQ UP2 0.001574 0.44817 3.59551
75 1R27 MGD 0.004691 0.42822 3.59551
76 1I0Z OXM 0.003836 0.44059 3.6036
77 1PR9 NAP 0.002379 0.43701 3.68852
78 3IOI 1GW 0.01271 0.40554 3.69128
79 4QVH FLC 0.01088 0.43869 3.82022
80 1MG1 MAL 0.007337 0.40273 3.82022
81 3N5O GSH 0.003035 0.41229 3.82979
82 1P9B HDA 0.003305 0.41542 3.84615
83 3U1T MLI 0.009161 0.40854 3.8835
84 4F4S EFO 0.003166 0.41045 3.94737
85 2VDJ HSE 0.0125 0.40877 3.98671
86 4GYW UDP 0.004761 0.42325 4.04494
87 4AQL TXC 0.005117 0.40148 4.04494
88 2Q8H TF4 0.00733 0.42696 4.1769
89 1RYI GOA 0.009805 0.44264 4.18848
90 4JCA CIT 0.003228 0.4533 4.19162
91 2YIV NBN 0.005866 0.41718 4.26966
92 4ARF IP8 GLY PRO ALA 0.004203 0.40265 4.31472
93 2Z9V PXM 0.00547 0.40099 4.33673
94 1JGS SAL 0.02337 0.41765 4.34783
95 1TUV VK3 0.002343 0.45095 4.38596
96 1YOA FMN 0.007469 0.44418 4.40252
97 2BNE U5P 0.01032 0.41104 4.56432
98 1SOW NAD 0.01005 0.40979 4.57317
99 2X2T GAL NGA 0.001306 0.46323 4.57516
100 2BZ1 TAU 0.03351 0.40921 4.59184
101 1MOQ GLP 0.003475 0.43405 4.61957
102 4LZJ 22H 0.004255 0.43864 4.62046
103 1ULE GLA GAL NAG 0.009441 0.41445 4.66667
104 1HQL GLA MBG 0.002834 0.43125 4.66926
105 3DCM SAM 0.005598 0.40385 4.6875
106 3IHB TRS 0.02523 0.44338 4.7191
107 3L6R MLI 0.005678 0.41781 4.7191
108 1T8U UAP SGN IDS SGN 0.0102 0.41606 4.77941
109 3CL7 HYN 0.008497 0.40337 4.87013
110 3R51 MMA 0.0007436 0.47505 5
111 2Y7P SAL 0.002833 0.41238 5.04587
112 1DXY COI 0.02283 0.40296 5.1051
113 2BLE 5GP 0.02854 0.41148 5.16854
114 4C2G ALA ALA ALA ALA 0.002875 0.40673 5.16854
115 1UXG FUM 0.0212 0.40251 5.17799
116 1UXG NAD 0.0212 0.40251 5.17799
117 2EFJ 37T 0.0009564 0.40815 5.20833
118 4KCT PYR 0.003255 0.40466 5.21042
119 1JAC AMG 0.002788 0.45653 5.26316
120 2F01 BTQ 0.02155 0.42007 5.51181
121 2F01 BTN 0.02155 0.42007 5.51181
122 1X92 M7P 0.0002126 0.43444 5.52764
123 3I51 45C 0.0006454 0.41703 5.55556
124 1BTN I3P 0.01044 0.44198 5.66038
125 2DVZ GLU 0.001126 0.41685 5.73248
126 3BHO B4P 0.009642 0.42919 5.76923
127 1C1L GAL BGC 0.008361 0.41031 5.83942
128 4RNX FMN 0.004074 0.41018 6
129 1XHL NDP 0.006013 0.41905 6.06061
130 3UEC ALA ARG TPO LYS 0.001687 0.44127 6.16438
131 1U7Z PMT 0.0003947 0.46943 6.19469
132 3QDW A2G 0.00127 0.46382 6.29371
133 3QDT A2G GAL 0.008191 0.41732 6.29371
134 3QDW NDG 0.00833 0.41038 6.29371
135 3QDY CBS 0.009326 0.40819 6.29371
136 4NES UD1 0.004038 0.40747 6.41711
137 2PNZ UDP 0.002859 0.42393 6.4982
138 2YCJ C2F 0.001725 0.41508 6.64207
139 1Y7P RIP 0.01631 0.40339 6.72646
140 4P3H 25G 0.01227 0.41817 6.73575
141 2BO4 FLC 0.006596 0.4149 6.80101
142 1WRA PC 0.01119 0.40466 6.81818
143 3C1O NAP 0.007552 0.40543 6.85358
144 4LSJ LSJ 0.00503 0.40749 6.97674
145 3JQM GTP 0.001066 0.41116 7.00637
146 3OAI MAL 0.01104 0.40803 7.10059
147 4W6Z ETF 0.00386 0.43248 7.20461
148 1B8U OAA 0.01627 0.40107 7.29483
149 1H8G CHT 0.03852 0.40593 7.36842
150 1XE7 GUN 0.005546 0.43283 7.38916
151 2HFK E4H 0.00257 0.41406 7.52351
152 1Q11 TYE 0.0003952 0.44642 7.52688
153 4I71 AGV 0.003115 0.41185 7.57576
154 4F8L GAL 0.002713 0.46763 7.58621
155 1GSA ADP 0.01094 0.42286 7.59494
156 3S9K CIT 0.001211 0.50577 7.62712
157 2VKL MLT 0.001676 0.46773 7.77778
158 1H2B OCA 0.004773 0.40883 7.79944
159 1I9G SAM 0.0219 0.40805 7.85714
160 1SC3 MLI 0.004599 0.42895 7.86517
161 4U36 TNR 0.006406 0.40829 7.91667
162 1T3D CYS 0.003577 0.42674 7.95848
163 2VQ5 LDP 0.0046 0.43677 7.9602
164 2VQ5 HBA 0.004478 0.4224 7.9602
165 1JN2 SFP 0.005609 0.46594 8.01688
166 1IYE PGU 0.007803 0.41313 8.09062
167 3I6B KDO 0.001011 0.43019 8.33333
168 3BY8 MLT 0.005928 0.41697 8.4507
169 2RHW C0E 0.0264 0.40449 8.48057
170 2WCV FUC 0.0003503 0.44189 8.57143
171 1FIQ FAD 0.001867 0.44264 8.6758
172 1FIQ SAL 0.003848 0.42708 8.6758
173 1FIQ MTE 0.003326 0.42708 8.6758
174 4IVG ANP 0.01666 0.4164 8.76404
175 2ZJ5 ADP 0.005107 0.40761 8.76404
176 4LO6 SIA GAL 0.01584 0.40087 8.94737
177 2XDQ MGX 0.007498 0.42648 8.98876
178 1TU3 GNP 0.007009 0.40824 9.35672
179 3SHR CMP 0.002217 0.4059 9.36455
180 1H2M OGA 0.007179 0.40714 9.61539
181 1Y1A GSH 0.002474 0.4776 9.83607
182 2Q1A 2KT 0.004581 0.4155 9.89761
183 2ZE3 AKG 0.007795 0.40002 10.1818
184 4EXO PYR 0.002638 0.44015 10.274
185 2QIA U20 0.03722 0.40268 10.3053
186 4B9E FAH 0.007348 0.41281 10.9635
187 1KC7 PPR 0.0002184 0.48073 12.1348
188 1H2K OGA 0.006958 0.40772 12.1951
189 9LDB OXM 0.002311 0.46066 12.6506
190 9LDT OXM 0.006215 0.43888 12.6506
191 3RF4 FUN 0.003461 0.40891 14.6552
192 2XI7 XI7 0.01866 0.42291 14.6739
193 3AHC TPP 0.006474 0.4152 15.2809
194 2XRH NIO 0.002755 0.43179 16
195 1Y2W NAG 0.006202 0.40986 17.6056
196 1SS4 CIT 0.000778 0.49474 17.6471
197 1SS4 GSH 0.006728 0.45026 17.6471
198 2YD6 FLC 0.002041 0.48674 17.9245
199 1NVU GTP 0.004936 0.44278 18.0723
200 1NU4 MLA 0.02842 0.41308 18.5567
201 1UO5 PIH 0.00985 0.43777 20.5882
202 1T0S BML 0.008983 0.41546 27.907
Pocket No.: 2; Query (leader) PDB : 1C7R; Ligand: PA5; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1c7r.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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