Receptor
PDB id Resolution Class Description Source Keywords
1M3U 1.8 Å EC: 2.1.2.11 CRYSTAL STRUCTURE OF KETOPANTOATE HYDROXYMETHYLTRANSFERASE C THE PRODUCT KETOPANTOATE ESCHERICHIA COLI BETA-ALPHA-BARREL TIM-BARREL KETOPANTOATE SELENOMETHIONINDECAMER TRANSFERASE
Ref.: STRUCTURE OF E. COLI KETOPANTOATE HYDROXYMETHYL TRA COMPLEXED WITH KETOPANTOATE AND MG(2+), SOLVED BY L 160 SELENOMETHIONINE SITES. STRUCTURE V. 11 985 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KPL A:265;
B:265;
C:265;
D:265;
E:265;
F:265;
G:265;
H:265;
I:265;
J:265;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
146.141 C6 H10 O4 CC(C)...
MG A:266;
B:266;
C:266;
D:266;
E:266;
F:266;
G:266;
H:266;
I:266;
J:266;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1M3U 1.8 Å EC: 2.1.2.11 CRYSTAL STRUCTURE OF KETOPANTOATE HYDROXYMETHYLTRANSFERASE C THE PRODUCT KETOPANTOATE ESCHERICHIA COLI BETA-ALPHA-BARREL TIM-BARREL KETOPANTOATE SELENOMETHIONINDECAMER TRANSFERASE
Ref.: STRUCTURE OF E. COLI KETOPANTOATE HYDROXYMETHYL TRA COMPLEXED WITH KETOPANTOATE AND MG(2+), SOLVED BY L 160 SELENOMETHIONINE SITES. STRUCTURE V. 11 985 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1M3U - KPL C6 H10 O4 CC(C)(CO)C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1M3U - KPL C6 H10 O4 CC(C)(CO)C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1M3U - KPL C6 H10 O4 CC(C)(CO)C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: KPL; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 KPL 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1M3U; Ligand: KPL; Similar sites found: 81
This union binding pocket(no: 1) in the query (biounit: 1m3u.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2XG9 NOJ GLC 0.01607 0.42647 1.51515
2 1VYP FMN 0.008813 0.42889 1.89394
3 4M5P FMN 0.01621 0.40925 1.89394
4 3A51 VDY 0.01724 0.40068 1.89394
5 4XBT FLC 0.008361 0.41816 1.93548
6 4XBT 3ZQ 0.01625 0.4039 1.93548
7 1QPR PPC 0.0103 0.41916 2.27273
8 2NLI LAC 0.02376 0.40946 2.27273
9 2NLI FMN 0.01882 0.40913 2.27273
10 4J1Q NDP 0.03251 0.40237 2.27273
11 4CCW VKC 0.003623 0.42327 2.65152
12 2QUN FUD 0.008734 0.4152 2.65152
13 3DLS ADP 0.009467 0.41135 2.65152
14 4WHZ 3NL 0.04727 0.41014 2.65152
15 1KKR 2AS 0.00543 0.40135 2.65152
16 5A5W GUO 0.001901 0.47989 2.7668
17 1J0D 5PA 0.006773 0.43473 3.0303
18 3C2O NTM 0.009451 0.42877 3.0303
19 3ZQ6 ADP ALF 0.0145 0.41783 3.0303
20 1B4N GUA 0.009464 0.4158 3.0303
21 1KTC NGA 0.00575 0.40871 3.0303
22 4XDY NAI 0.03049 0.40255 3.0303
23 2X41 BGC 0.0137 0.401 3.0303
24 5LPB ADP 0.002398 0.43533 3.40909
25 2QZZ NAP 0.04888 0.40262 3.40909
26 1Y9Q MED 0.01001 0.40774 3.64583
27 4EKQ NPO 0.00839 0.41809 3.74332
28 4I3G BGC 0.002775 0.42956 3.78788
29 1ICP FMN 0.01351 0.42345 3.78788
30 2Q3O FMN 0.01432 0.4136 3.78788
31 3CV7 C2U 0.04514 0.40541 3.78788
32 3CV7 NAP 0.04341 0.40541 3.78788
33 2R5N R5P 0.04519 0.40053 3.78788
34 1BGQ RDC 0.02761 0.40479 4
35 3T7V MD0 0.0006324 0.45329 4.16667
36 1KBI PYR 0.0164 0.41647 4.16667
37 5KF6 TFB 0.02277 0.41633 4.16667
38 5KF6 FAD 0.02277 0.41633 4.16667
39 1KBJ FMN 0.01886 0.41197 4.16667
40 3WQT ANP 0.02569 0.40073 4.16667
41 3RI1 3RH 0.03135 0.4006 4.16667
42 1HG4 LPP 0.02143 0.41047 4.30108
43 3ATY FMN 0.002729 0.45326 4.54545
44 3HF3 FMN 0.005376 0.43505 4.54545
45 2RDT FMN 0.02364 0.40693 4.54545
46 5UIU 8CG 0.03265 0.40351 4.54545
47 4JIQ FMN 0.006697 0.43498 4.92424
48 4NMC 2OP 0.02831 0.41442 4.92424
49 2WOJ ADP ALF 0.02228 0.40825 4.92424
50 2GFD RDA 0.01379 0.41599 5.08475
51 1Q6O LG6 0.00504 0.4269 5.09259
52 3H4L ANP 0.007404 0.41185 5.30303
53 3H22 B53 0.008675 0.40854 5.30303
54 4CYI ATP 0.02444 0.40026 5.30303
55 3KCC CMP 0.004903 0.43159 5.68182
56 1TB3 FMN 0.02921 0.40082 5.68182
57 1Q6D GLC GLC 0.01441 0.43002 6.06061
58 4AMW 5DI 0.01326 0.40249 6.43939
59 1P4C FMN 0.03376 0.40508 6.81818
60 2WQP WQP 0.007001 0.43545 7.19697
61 5A3T MMK 0.02354 0.41214 7.19697
62 1IGW PYR 0.01157 0.40404 7.19697
63 4CQM NAP 0.03768 0.40142 7.27969
64 2Q3R FMN 0.00365 0.43988 8.71212
65 1MEX RAC 0.002576 0.43384 8.83721
66 1OFD FMN 0.04901 0.40065 9.4697
67 3CYQ AMU 0.002764 0.44121 10.1449
68 3KOX Z98 0.02207 0.40085 10.2273
69 4A3U FMN 0.005951 0.4311 10.6061
70 1OF8 PEP 0.005644 0.41489 10.6061
71 4N02 FNR 0.02021 0.40901 10.9848
72 3HQP OXL 0.02226 0.40231 10.9848
73 5EYP LOC 0.02326 0.40292 11.4607
74 1RC0 KT5 0.04447 0.40292 11.4833
75 1VEM GLC GLC 0.013 0.42558 12.1212
76 1M7Y PPG 0.03304 0.40442 12.5
77 2P3B 3TL 0.03732 0.40895 13.1313
78 4XP7 FNR 0.02022 0.40101 13.2576
79 2TPS TPS 0.002511 0.4567 15.859
80 4C1K PEP 0.00302 0.42267 16.7939
81 5CKS 52L 0.01285 0.40268 17.803
Pocket No.: 2; Query (leader) PDB : 1M3U; Ligand: KPL; 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: 1m3u.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1M3U; Ligand: KPL; 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: 1m3u.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1M3U; Ligand: KPL; 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: 1m3u.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1M3U; Ligand: KPL; 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: 1m3u.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1M3U; Ligand: KPL; 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: 1m3u.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1M3U; Ligand: KPL; 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: 1m3u.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1M3U; Ligand: KPL; 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: 1m3u.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1M3U; Ligand: KPL; 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: 1m3u.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1M3U; Ligand: KPL; 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: 1m3u.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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