Receptor
PDB id Resolution Class Description Source Keywords
3GLC 2.5 Å EC: 4.1.2.- CRYSTAL STRUCTURE OF E. COLI LSRF IN COMPLEX WITH RIBOSE-5-P ESCHERICHIA COLI TIM BARREL LYASE SCHIFF BASE
Ref.: THE CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI AUTOI PROCESSING PROTEIN LSRF. PLOS ONE V. 4 E6820 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
R5P A:400;
B:400;
C:400;
D:400;
E:400;
F:400;
G:400;
H:400;
I:400;
J:400;
K:400;
L:400;
M:400;
N:400;
O:400;
P:400;
Q:400;
R:400;
S:400;
T:400;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
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submit data
230.11 C5 H11 O8 P C(C(C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GLC 2.5 Å EC: 4.1.2.- CRYSTAL STRUCTURE OF E. COLI LSRF IN COMPLEX WITH RIBOSE-5-P ESCHERICHIA COLI TIM BARREL LYASE SCHIFF BASE
Ref.: THE CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI AUTOI PROCESSING PROTEIN LSRF. PLOS ONE V. 4 E6820 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3GLC - R5P C5 H11 O8 P C(C(C(C(C=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3GLC - R5P C5 H11 O8 P C(C(C(C(C=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3GLC - R5P C5 H11 O8 P C(C(C(C(C=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: R5P; Similar ligands found: 41
No: Ligand ECFP6 Tc MDL keys Tc
1 R5P 1 1
2 R52 1 1
3 G6Q 0.722222 1
4 E4P 0.647059 0.939394
5 M2P 0.606061 0.941176
6 A5P 0.540541 0.861111
7 DX5 0.540541 0.861111
8 LXP 0.540541 0.861111
9 LX1 0.540541 0.885714
10 S6P 0.526316 0.885714
11 HG3 0.5 0.852941
12 LG6 0.5 0.970588
13 6PG 0.5 0.970588
14 TX4 0.5 0.673913
15 DG6 0.5 0.837838
16 PA5 0.487805 0.970588
17 R10 0.487805 0.970588
18 LRY 0.479167 0.767442
19 M6R 0.47619 0.72093
20 AGP 0.47619 0.72093
21 TG6 0.465116 0.942857
22 F6R 0.465116 0.942857
23 G3H 0.459459 0.909091
24 H4P 0.446809 0.744186
25 I22 0.444444 0.942857
26 P6T 0.444444 0.970588
27 PAN 0.444444 0.717391
28 2FP 0.444444 0.970588
29 P6F 0.444444 0.970588
30 KD0 0.434783 0.970588
31 5RP 0.418605 0.916667
32 5SP 0.418605 0.916667
33 HMS 0.418605 0.916667
34 52L 0.416667 0.733333
35 DER 0.414634 0.970588
36 DEZ 0.414634 0.970588
37 PAI 0.411765 0.727273
38 G3P 0.405405 0.828571
39 1GP 0.405405 0.828571
40 DXP 0.404762 0.885714
41 XDP 0.4 0.888889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3GLC; Ligand: R5P; Similar sites found: 131
This union binding pocket(no: 1) in the query (biounit: 3glc.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2C6Q NDP 0.00572 0.44832 1.35593
2 2C6Q IMP 0.002566 0.44471 1.35593
3 3MJE NDP 0.01831 0.41001 1.69492
4 4XP7 FNR 0.01156 0.4048 1.69492
5 3LL5 IP8 0.02072 0.40094 2.00803
6 4PIV NDP 0.007012 0.42799 2.0339
7 5WGR FAD 0.02461 0.41395 2.0339
8 4WZ8 3W7 0.03481 0.40704 2.0339
9 3OIX FMN 0.01687 0.40363 2.0339
10 4IGH 1EA 0.007 0.45849 2.37288
11 4IGH FMN 0.007 0.45849 2.37288
12 4IGH ORO 0.007 0.45849 2.37288
13 2B4G FMN 0.003758 0.43979 2.37288
14 4ORM 2V6 0.02406 0.42914 2.37288
15 4ORM FMN 0.02406 0.42914 2.37288
16 4ORM ORO 0.02406 0.42914 2.37288
17 5FAG PPI 0.01072 0.40445 2.37288
18 4V15 PLP 0.007949 0.40407 2.37288
19 4ITH RCM 0.01323 0.40382 2.38095
20 1LBF 137 0.01004 0.41897 2.42915
21 2Y88 2ER 0.008617 0.43215 2.45902
22 2NVA PL2 0.003299 0.44103 2.71186
23 4LUT DCS 0.003934 0.42485 2.71186
24 5T79 NDP 0.01201 0.41652 2.71186
25 2FLI DX5 0.01388 0.40453 2.72727
26 5TO8 7FM 0.02805 0.40824 2.83688
27 3ZV6 NAD 0.03183 0.40905 2.84698
28 3ZV6 4HB 0.03306 0.40905 2.84698
29 1FDJ 2FP 0.0001223 0.48715 3.05085
30 1FDJ 13P 0.00003302 0.46143 3.05085
31 2Z6J FMN 0.005816 0.43334 3.05085
32 4HKP TKW 0.003996 0.4321 3.05085
33 4HKP 16B 0.003283 0.43057 3.05085
34 3KDN CAP 0.01716 0.42715 3.05085
35 1TUF AZ1 0.007891 0.42113 3.05085
36 3EPO MP5 0.006241 0.41743 3.05085
37 2C29 DQH 0.02513 0.41608 3.05085
38 2C29 NAP 0.02615 0.41519 3.05085
39 2RJH DCS 0.008081 0.40601 3.05085
40 2PTZ PAH 0.009761 0.40434 3.05085
41 5TTJ FAD 0.03803 0.40418 3.05085
42 5AEE NSQ 0.01039 0.40096 3.05085
43 3MI2 PFU 0.01626 0.42918 3.22581
44 1DQX BMP 0.005746 0.42282 3.37079
45 5GJO PLP 0.005278 0.41457 3.38983
46 5UIU 8CG 0.01829 0.41123 3.38983
47 4J1Q NDP 0.02059 0.40498 3.38983
48 3X01 AMP 0.01557 0.40419 3.38983
49 1ME8 RVP 0.001933 0.46593 3.72881
50 1PVN MZP 0.003102 0.45888 3.72881
51 4TR9 ASP TRP ASN 0.0006287 0.45723 3.72881
52 2BLE 5GP 0.001978 0.45489 3.72881
53 2Q8Z NUP 0.006744 0.42285 3.72881
54 2VD9 IN5 0.002913 0.41059 3.72881
55 2VD9 EPC 0.003241 0.4025 3.72881
56 2FFC U5P 0.01377 0.4012 3.72881
57 1LQA NDP 0.03472 0.40053 3.72881
58 3KRU FMN 0.01867 0.41194 3.79009
59 2QCD U5P 0.003332 0.43222 3.84615
60 1QY1 PRZ 0.0141 0.40421 4.02299
61 1ADO 13P 0.00007908 0.42374 4.0678
62 4ANW O92 0.02242 0.40682 4.0678
63 2HSA FMN 0.02095 0.40588 4.0678
64 1M5W DXP 0.002736 0.45598 4.11523
65 1RBO CAP 0.04953 0.43258 4.40678
66 3EAU PDN 0.01057 0.42875 4.40678
67 1TB3 FMN 0.02235 0.40571 4.40678
68 1IR1 CAP 0.01266 0.40472 4.40678
69 1ZFJ IMP 0.006938 0.41713 4.74576
70 3OVR 5SP 0.01107 0.41087 4.82456
71 4NAT ADP 0.03174 0.43064 5
72 4NAT 2W5 0.01018 0.43064 5
73 4R38 RBF 0.006073 0.41987 5
74 1GVE NAP 0.009742 0.42723 5.08475
75 3W9Z FMN 0.005172 0.42128 5.08475
76 1S16 ANP 0.01493 0.40914 5.08475
77 1UZD CAP 0.01374 0.40474 5.08475
78 2Q3R FMN 0.01366 0.40315 5.08475
79 1UZH CAP 0.01625 0.40125 5.08475
80 5A5W GUO 0.0004651 0.5007 5.13834
81 1X1Z BMP 0.008483 0.44389 5.15873
82 1QPR PPC 0.002698 0.43845 5.28169
83 4UAL 3FV 0.01096 0.40399 5.42373
84 3BMN NAP 0.02747 0.40124 5.55556
85 4Q4K FMN 0.002257 0.44902 6.1017
86 1NJJ ORX 0.003914 0.43076 6.1017
87 2PLK P3D 0.004602 0.42741 6.1017
88 2G30 ALA ALA PHE 0.001944 0.44433 6.20155
89 4NAE 1GP 0.002365 0.44677 6.22222
90 2BP1 NDP 0.01438 0.41987 6.38889
91 1AL8 DHP 0.01514 0.41411 6.40669
92 1AL8 FMN 0.01351 0.40829 6.40669
93 3B0P FMN 0.001748 0.4391 6.44068
94 4HXY NDP 0.01783 0.41179 7.11864
95 2RDT 2RD 0.01739 0.41233 7.45763
96 2RDT FMN 0.01284 0.41233 7.45763
97 1EIX BMQ 0.002102 0.43758 7.7551
98 4WZH FMN 0.003207 0.44162 7.79661
99 1VGR COA 0.02865 0.40261 7.79661
100 2Q3O FMN 0.01275 0.40794 8.13559
101 1ICP FMN 0.02074 0.40609 8.13559
102 1HYH NAD 0.02388 0.40544 8.13559
103 5A89 ADP 0.04051 0.40361 8.33333
104 5A89 FMN 0.04051 0.40361 8.33333
105 2TPS TPS 0.0007965 0.47095 8.81057
106 3MJY IJZ 0.007785 0.43091 8.81356
107 3MJY FMN 0.007785 0.43091 8.81356
108 3EXS 5RP 0.001186 0.44716 9.04977
109 2OO0 PLP 0.002196 0.43449 9.15254
110 4UTW RFW 0.004815 0.41864 9.17031
111 4UTU LRY 0.005023 0.41557 9.17031
112 1GT4 UNA 0.01022 0.4034 9.43396
113 3C3N FMN 0.01291 0.42331 10.1695
114 3WG6 NDP 0.02663 0.40071 10.1695
115 4AF0 IMP 0.005029 0.42732 10.5085
116 4JEJ 1GP 0.005335 0.41203 10.6557
117 2F5Z FAD 0.04464 0.40307 10.9375
118 5ABH YWN 0.01249 0.40994 11.5254
119 2I0D MUT 0.02018 0.43324 12.1212
120 1WDD CAP 0.01223 0.40543 13.2812
121 2NNQ T4B 0.03527 0.40314 13.7405
122 2V63 CAP 0.01164 0.40819 14.2857
123 2VDH CAP 0.01178 0.40793 14.2857
124 2V6A CAP 0.01167 0.40641 14.2857
125 1OVD ORO 0.002554 0.45985 14.9153
126 1OVD FMN 0.002554 0.45985 14.9153
127 2C91 NAP 0.01692 0.41631 18.6391
128 1RBL CAP 0.003266 0.43629 24.7706
129 1KBI PYR 0.00258 0.44776 31.5254
130 1KBI FMN 0.02975 0.42106 31.5254
131 1W8S FBP 0.000000266 0.6128 45.6274
Pocket No.: 2; Query (leader) PDB : 3GLC; Ligand: R5P; 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: 3glc.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3GLC; Ligand: R5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3glc.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3GLC; Ligand: R5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3glc.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3GLC; Ligand: R5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3glc.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3GLC; Ligand: R5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3glc.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3GLC; Ligand: R5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3glc.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3GLC; Ligand: R5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3glc.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3GLC; Ligand: R5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 3glc.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3GLC; Ligand: R5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 3glc.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3GLC; Ligand: R5P; Similar sites found: 8
This union binding pocket(no: 11) in the query (biounit: 3glc.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4R33 TRP 0.03497 0.40037 3.05085
2 4R33 SAH 0.03497 0.40037 3.05085
3 4RPL FAD 0.03498 0.42097 3.38983
4 4WAS NAP 0.03841 0.40028 4.0678
5 1D8C GLV 0.02149 0.40409 4.74576
6 3GFZ C2E 0.02123 0.40025 4.74576
7 5G5G MCN 0.0266 0.40843 4.80349
8 4OYA 1VE 0.04267 0.41511 5.76271
Pocket No.: 12; Query (leader) PDB : 3GLC; Ligand: R5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 3glc.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 3GLC; Ligand: R5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 3glc.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 3GLC; Ligand: R5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 3glc.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 3GLC; Ligand: R5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 3glc.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 3GLC; Ligand: R5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 3glc.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 3GLC; Ligand: R5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 3glc.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 3GLC; Ligand: R5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 3glc.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 3GLC; Ligand: R5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 19) in the query (biounit: 3glc.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 3GLC; Ligand: R5P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 3glc.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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