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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 with APoc: 151
This union binding pocket(no: 1) in the query (biounit: 1m3u.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5Y2W PGA None
2 5Y72 DST 1.13636
3 2XG9 NOJ GLC 1.51515
4 4H6Q TFB 1.51515
5 4H6Q FAD 1.51515
6 5WS9 ATP 1.89394
7 6BFN DL1 1.89394
8 4M5P FMN 1.89394
9 1VYP TNF 1.89394
10 2NX1 PEP 1.89394
11 2NX1 RP5 1.89394
12 3A51 VDY 1.89394
13 1QPR PPC 2.27273
14 2NLI LAC 2.27273
15 2NLI FMN 2.27273
16 4J1Q NDP 2.27273
17 1KKR 2AS 2.65152
18 4CCW VKC 2.65152
19 5K4W NAI 2.65152
20 5EO8 TFU 2.65152
21 2QUN FUD 2.65152
22 1AJ0 PH2 2.65152
23 1AJ0 SAN 2.65152
24 3DLS ADP 2.65152
25 1FNN ADP 2.65152
26 5A5W GUO 2.7668
27 3C2O NTM 3.0303
28 2BO4 FLC 3.0303
29 5YF9 NIO 3.0303
30 1KTC NGA 3.0303
31 3ZQ6 ADP ALF 3.0303
32 1B4N GUA 3.0303
33 1GPJ CIT 3.0303
34 6C4A PYR 3.0303
35 4XDY NAI 3.0303
36 2CHN NGT 3.0303
37 2X41 BGC 3.0303
38 4TMC HBA 3.40909
39 4TMC FMN 3.40909
40 2R14 TXD 3.40909
41 5LPB ADP 3.40909
42 1S16 ANP 3.40909
43 4UIB GWX 3.40909
44 2QZZ NAP 3.40909
45 6CZI 38E 3.57143
46 1Y9Q MED 3.64583
47 4EKQ NPO 3.74332
48 3FC2 IBI 3.78788
49 4I3G BGC 3.78788
50 1ICP FMN 3.78788
51 2XIQ MLC 3.78788
52 2Q3O FMN 3.78788
53 3CV7 NAP 3.78788
54 3CV7 C2U 3.78788
55 4Z1D PEP 3.78788
56 2R5N R5P 3.78788
57 2R5N RP5 3.78788
58 1BGQ RDC 4
59 3T7V MD0 4.16667
60 1OYB FMN 4.16667
61 1KBI PYR 4.16667
62 1KBI FMN 4.16667
63 5KF6 TFB 4.16667
64 5KF6 FAD 4.16667
65 1KBJ FMN 4.16667
66 4FHD 0TT 4.16667
67 4FHD EEM 4.16667
68 5YU3 PRO 4.16667
69 5YU3 NAD 4.16667
70 3H55 GLA 4.16667
71 3WQT ANP 4.16667
72 3RI1 3RH 4.16667
73 1DBT U5P 4.1841
74 1S9A BEZ 4.28016
75 1HG4 LPP 4.30108
76 3ATY FMN 4.54545
77 3HF3 FMN 4.54545
78 5OCS FMN 4.54545
79 4ITU 1HS 4.54545
80 2RDT FMN 4.54545
81 5UIU 8CG 4.54545
82 5ZCM NDP DTT 4.54545
83 1PVN MZP 4.78723
84 4JIQ 1L5 4.92424
85 4JIQ FMN 4.92424
86 3ZS9 ADP ALF 4.92424
87 4NMC 2OP 4.92424
88 2WOJ ADP ALF 4.92424
89 5YJF SAH 4.92424
90 2GFD RDA 5.08475
91 1Q6O LG6 5.09259
92 4CYI ATP 5.30303
93 3H4L ANP 5.30303
94 3H22 B53 5.30303
95 6CI9 F3V 5.40541
96 3KCC CMP 5.68182
97 4X7Y SAH 5.68182
98 6H8S FSZ 5.68182
99 1TB3 FMN 5.68182
100 2BOY BHO 5.90551
101 6BYM HC3 5.91133
102 1Q6D GLC GLC 6.06061
103 2G50 PYR 6.06061
104 2HSA FMN 6.21891
105 4AMW 5DI 6.43939
106 1Y0L HAN 6.48148
107 4FC7 NAP 6.81818
108 4FC7 COA 6.81818
109 1OFZ FUC 6.81818
110 1OFZ FUL 6.81818
111 3A6T 8OG 6.97674
112 1M5W DXP 6.99588
113 4N9I PCG 7.14286
114 2WQP WQP 7.19697
115 5A3T MMK 7.19697
116 4R3U 3HC 7.19697
117 1IGW PYR 7.19697
118 4CQM NAP 7.27969
119 5LA1 XYP 7.57576
120 2WW4 ADP 7.77385
121 3UXL CFI 7.95455
122 4QNW FMN 8.33333
123 2Q3R FMN 8.71212
124 1MEX RAC 8.83721
125 5UC4 83S 9.09091
126 6DAM PQQ 9.4697
127 1OFD FMN 9.4697
128 5ZMY TAR 9.55414
129 2XN2 GLA 9.84848
130 3CYQ AMU 10.1449
131 1CX9 NHP 10.2273
132 4KCT PYR 10.2273
133 3KOX Z98 10.2273
134 4A3U FMN 10.6061
135 2YFO GLA 10.6061
136 2YFO GAL 10.6061
137 1OF8 PEP 10.6061
138 4N02 FNR 10.9848
139 3HQP OXL 10.9848
140 5EYP LOC 11.4607
141 1RC0 KT5 11.4833
142 3KRU FMN 11.7424
143 1VEM GLC GLC 12.1212
144 1M7Y PPG 12.5
145 2P3B 3TL 13.1313
146 1JG3 ADN 13.1915
147 4XP7 FNR 13.2576
148 5IFK HPA 14.1026
149 2TPS TPS 15.859
150 4C1K PEP 16.7939
151 5CKS 52L 17.803
Pocket No.: 2; Query (leader) PDB : 1M3U; Ligand: KPL; Similar sites found with APoc: 44
This union binding pocket(no: 2) in the query (biounit: 1m3u.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5EZU MYR None
2 4JR7 GNP 1.51515
3 1VYP FMN 1.89394
4 2XMY CDK 1.89394
5 3EPO MP5 1.89394
6 5FBN 5WF 1.89394
7 3I51 45C 1.89394
8 4O4K 2PK 2.27273
9 4CSD MFU 2.27273
10 3ZW0 FUC 2.29885
11 4GQP B40 2.40964
12 5K4W THR 2.65152
13 3Q9T FAY 2.65152
14 5XFV FMN 2.65152
15 3LN0 52B 3.0303
16 2G37 FAD 3.0303
17 2NAD NAD 3.0303
18 6F7X MFU 3.33333
19 2R14 FMN 3.40909
20 4O8A FAD 3.40909
21 1XSE NDP 3.78788
22 2AEL SAZ 3.78788
23 2R5N TPP 3.78788
24 5MSO NAP 4.16667
25 5NNA BZM 4.16667
26 2CFC NAD 4.4
27 4UXL 5P8 4.54545
28 5EPO NAP 4.58015
29 2F7A BEZ 4.74138
30 3B1Q NOS 4.92424
31 2P1C GG3 4.92424
32 3FYP PEP 6.06061
33 5M7Y MAN MAN MAN 6.43939
34 1L8N GCW 6.43939
35 1UU6 BGC BGC BGC BGC 7.14286
36 3G6K POP 7.19697
37 5NBW 8SK 7.94393
38 5AE9 OKO 7.95455
39 5WAN FMN 7.95455
40 4OIT MAN 10.6061
41 6HTO 5AD 12.8788
42 6HTO MET 12.8788
43 3UB7 ACM 13.2597
44 4S00 AKR 31.0606
Pocket No.: 3; Query (leader) PDB : 1M3U; Ligand: KPL; Similar sites found with APoc: 43
This union binding pocket(no: 3) in the query (biounit: 1m3u.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5KZD RCJ 1.51515
2 2BEK ATP 1.55642
3 3E5A VX6 1.89394
4 5ODT ADP 1.89394
5 2JLD AG1 2.27273
6 4EWH T77 2.27273
7 4R5M 4NO 2.65152
8 4R5M NAP 2.65152
9 3NUG NAD 2.83401
10 3VRV YSD 3.0303
11 5JFS 6K0 3.0303
12 4E2J MOF 3.2
13 1TKK ALA GLU 3.78788
14 3IID APR 3.79147
15 1OYB HBA 4.16667
16 4USF 6UI 4.16667
17 4B52 RDF 4.16667
18 1YP4 ADP 4.54545
19 1PR9 NAP 4.91803
20 4GN8 ASO 4.92424
21 5USZ SKE 4.92424
22 4H3Q ANP 5.30303
23 2X32 OTP 5.58659
24 3ALN ANP 5.68182
25 3ZQE DXC 5.68182
26 5GWT SIN 5.68182
27 3ANY 2A3 6.43939
28 5EPQ OLA 6.70732
29 4R3U 3KK 7.19697
30 3G6K FAD 7.19697
31 1EBG PAH 7.57576
32 6F3M ADN 7.95455
33 6C6O ENG 7.95455
34 5TBS ADE 8.33333
35 3EYA TDP 8.33333
36 4ARU TLA 8.71212
37 3WOL VAL TYR 9.09091
38 1OF8 G3P 10.6061
39 5H9O GLC 11.3636
40 5VLQ ANP 14.3939
41 2WSB NAD 15.748
42 4B7P 9UN 17.8261
43 4YHQ G10 18.1818
Pocket No.: 4; Query (leader) PDB : 1M3U; Ligand: KPL; Similar sites found with APoc: 27
This union binding pocket(no: 4) in the query (biounit: 1m3u.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2JFZ 003 1.96078
2 2JFZ DGL 1.96078
3 4OIV XX9 2.21239
4 1WPQ NAD 2.27273
5 1QXA GLY GLY GLY 2.55319
6 5VC5 96M 3.0303
7 4DHY GLC 3.0303
8 4K6B GLU 3.10559
9 3W8X FAD 3.40909
10 3W8X FTK 3.40909
11 3B8I OXL 4.16667
12 2WW2 SWA 4.54545
13 3GNI ATP 4.54545
14 2QV6 GTP 4.54545
15 1ZIN AP5 4.60829
16 4XVU ATP 4.92424
17 3B2Q ATP 4.92424
18 2HKA C3S 5.38462
19 1R6B ADP 6.06061
20 4L2I FAD 6.08365
21 5XDT MB3 6.43939
22 5GMD DP6 6.81818
23 5L6G XYP 7.57576
24 2GOU FMN 8.33333
25 5D2R 56W 10.9848
26 3E85 BSU 11.3924
27 4CYD CMP 23.8095
Pocket No.: 5; Query (leader) PDB : 1M3U; Ligand: KPL; Similar sites found with APoc: 13
This union binding pocket(no: 5) in the query (biounit: 1m3u.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3TKI S25 1.51515
2 4DHY S41 3.0303
3 1RHC F42 ACN 3.40909
4 4CIB 7UZ 3.78788
5 5U6C 7YS 4.16667
6 5WQP NCA 5.55556
7 1P4C FMN 6.81818
8 4C2V YJA 6.81818
9 1YNH SUO 6.81818
10 4REI 3MV 7.28477
11 1UJP CIT 8.33333
12 6CDG PRO GLY LEU TRP LYS SER 14.3713
13 4BMO FMN 18.4874
Pocket No.: 6; Query (leader) PDB : 1M3U; Ligand: KPL; Similar sites found with APoc: 42
This union binding pocket(no: 6) in the query (biounit: 1m3u.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2YJ0 420 None
2 3TKY N7I 1.51515
3 3B0P FMN 1.89394
4 5W19 9TD 1.89394
5 4TMN 0PK 2.27273
6 2WLG SOP 2.32558
7 1REQ DCA 2.65152
8 3LXK MI1 2.65152
9 3QP8 HL0 2.71739
10 1XG5 NAP 3.0303
11 4AT3 LTI 3.0303
12 1ZEM NAD 3.05344
13 3E8N VRA 3.40909
14 3E8N ATP 3.40909
15 3SLS ANP 3.40909
16 3WMX NAD 3.40909
17 4OH4 ANP 3.40909
18 1Z48 FMN 3.78788
19 1Z41 FMN 3.78788
20 4RW3 IPD 3.78788
21 4B98 PXG 4.16667
22 5XM3 PQQ 4.54545
23 1SJD NPG 4.54545
24 3VRY B43 4.54545
25 2H8Z FMN 4.92424
26 2H8Z 8CM 4.92424
27 4RF2 NAP 5.30303
28 5FBF DCM 5.68182
29 1SAY PYR 5.68182
30 1ADO 13P 5.68182
31 5WKC TP9 6.43939
32 4YGF AZM 6.83761
33 4XO8 KGM 6.96203
34 1TKB N1T 7.57576
35 5EFQ ADP 9.09091
36 5VSM 5AD 9.09091
37 1OFD AKG 9.4697
38 2F2H XTG 10.2273
39 1AL8 FMN 11.3636
40 4QM9 CYS 11.5607
41 1LOR BMP 13.5965
42 2D0V PQQ 19.4444
Pocket No.: 7; Query (leader) PDB : 1M3U; Ligand: KPL; Similar sites found with APoc: 10
This union binding pocket(no: 7) in the query (biounit: 1m3u.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4OKZ 3E9 1.89394
2 1UNB PN1 2.27273
3 1UNB AKG 2.27273
4 1U1J MET 2.65152
5 4E93 GUI 3.0303
6 1NFQ NAI 3.07692
7 5OJI NAP 7.69231
8 5OJI ISN 7.69231
9 6FKW PQQ 9.84848
10 2OVD DAO 10.4396
Pocket No.: 8; Query (leader) PDB : 1M3U; Ligand: KPL; Similar sites found with APoc: 7
This union binding pocket(no: 8) in the query (biounit: 1m3u.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5G41 AP5 2.24215
2 5UR1 YY9 4.16667
3 2PVN P63 4.54545
4 1KGI T4A 6.29921
5 1V7C HEY 6.81818
6 4RFM 3P6 7.57576
7 2V58 LZJ 10.2273
Pocket No.: 9; Query (leader) PDB : 1M3U; Ligand: KPL; Similar sites found with APoc: 4
This union binding pocket(no: 9) in the query (biounit: 1m3u.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3PG7 PTY 4.6875
2 4Q5M ROC 6.40394
3 3KA2 2NC 6.40394
4 2Y7G AAE 7.19697
Pocket No.: 10; Query (leader) PDB : 1M3U; Ligand: KPL; Similar sites found with APoc: 7
This union binding pocket(no: 10) in the query (biounit: 1m3u.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5FQK 6NT 1.13636
2 4XCL AGS 3.0888
3 2H7C COA 4.54545
4 4NNB OAA 4.54545
5 2DM6 NAP 4.92424
6 2EWM NAD 9.63855
7 1RZM PEP 9.84848
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