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Receptor
PDB id Resolution Class Description Source Keywords
5GVL 2.5 Å EC: 2.-.-.- PLASMODIUM VIVAX SHMT BOUND WITH PLP-GLYCINE AND GS182 PLASMODIUM VIVAX (STRAIN SALVADOR I) ALPHA AND BETA PROTEIN METHYLTRANSFERASE ACTIVITY TRANSFERTRANSFERASE INHIBITOR COMPLEX
Ref.: ANTIMALARIAL INHIBITORS TARGETING SERINE HYDROXYMETHYLTRANSFERASE (SHMT) WITH IN VIVO EFFICA ANALYSIS OF THEIR BINDING MODE BASED ON X-RAY COCRY STRUCTURES J. MED. CHEM. V. 60 4840 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLG B:501;
C:501;
A:501;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
306.209 C10 H15 N2 O7 P Cc1c(...
CL A:503;
C:503;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
GI8 B:502;
A:502;
C:502;
Valid;
Valid;
Valid;
none;
none;
none;
ic50 = 42 nM
445.537 C24 H23 N5 O2 S Cc1c2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5GVL 2.5 Å EC: 2.-.-.- PLASMODIUM VIVAX SHMT BOUND WITH PLP-GLYCINE AND GS182 PLASMODIUM VIVAX (STRAIN SALVADOR I) ALPHA AND BETA PROTEIN METHYLTRANSFERASE ACTIVITY TRANSFERTRANSFERASE INHIBITOR COMPLEX
Ref.: ANTIMALARIAL INHIBITORS TARGETING SERINE HYDROXYMETHYLTRANSFERASE (SHMT) WITH IN VIVO EFFICA ANALYSIS OF THEIR BINDING MODE BASED ON X-RAY COCRY STRUCTURES J. MED. CHEM. V. 60 4840 2017
Members (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 5GVN ic50 = 90 nM G6F C26 H25 F N4 O3 Cc1c2c(n[n....
2 5XMV - 8AU C24 H20 Cl F3 N4 O Cc1c2c(n[n....
3 5YFZ - 8UO C24 H28 F N5 O3 Cc1c2c(n[n....
4 5XMQ - 8A6 C32 H30 F3 N5 O3 S Cc1c2c(n[n....
5 4TN4 - 33G C25 H20 F N5 O Cc1c2c(n[n....
6 5GVL ic50 = 42 nM GI8 C24 H23 N5 O2 S Cc1c2c(n[n....
7 5XMP - 8A3 C27 H25 F6 N5 O3 S Cc1c2c(n[n....
8 5GVM ic50 = 186 nM G57 C26 H23 F3 N4 O3 Cc1c2c(n[n....
9 5XMS - 8B3 C24 H20 F4 N4 O Cc1c2c(n[n....
10 5YG4 - 8UF C25 H28 F N5 O3 Cc1c2c(n[n....
11 5XMU - 8A0 C25 H23 F3 N4 O Cc1ccccc1c....
12 5YG3 - 8UC C23 H20 F N5 O Cc1c2c(n[n....
13 5GVK Kd = 99 nM G45 C24 H24 N6 O3 S2 Cc1c2c(n[n....
14 5YG2 - N05 C25 H30 F N5 O3 Cc1c2c(n[n....
15 5GVP ic50 = 165 nM GCF C27 H25 F3 N4 O3 Cc1c2c(n[n....
70% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 5GVN ic50 = 90 nM G6F C26 H25 F N4 O3 Cc1c2c(n[n....
2 5XMV - 8AU C24 H20 Cl F3 N4 O Cc1c2c(n[n....
3 5YFZ - 8UO C24 H28 F N5 O3 Cc1c2c(n[n....
4 5XMQ - 8A6 C32 H30 F3 N5 O3 S Cc1c2c(n[n....
5 4TN4 - 33G C25 H20 F N5 O Cc1c2c(n[n....
6 5GVL ic50 = 42 nM GI8 C24 H23 N5 O2 S Cc1c2c(n[n....
7 5XMP - 8A3 C27 H25 F6 N5 O3 S Cc1c2c(n[n....
8 5GVM ic50 = 186 nM G57 C26 H23 F3 N4 O3 Cc1c2c(n[n....
9 5XMS - 8B3 C24 H20 F4 N4 O Cc1c2c(n[n....
10 5YG4 - 8UF C25 H28 F N5 O3 Cc1c2c(n[n....
11 5XMU - 8A0 C25 H23 F3 N4 O Cc1ccccc1c....
12 5YG3 - 8UC C23 H20 F N5 O Cc1c2c(n[n....
13 5GVK Kd = 99 nM G45 C24 H24 N6 O3 S2 Cc1c2c(n[n....
14 5YG2 - N05 C25 H30 F N5 O3 Cc1c2c(n[n....
15 5GVP ic50 = 165 nM GCF C27 H25 F3 N4 O3 Cc1c2c(n[n....
50% Homology Family (37)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2VMO - GLY PLP n/a n/a
2 2VMQ - GLY PLP n/a n/a
3 2W7F - SER PLP n/a n/a
4 2W7L - PLP ALO n/a n/a
5 1KKP - PLP SER n/a n/a
6 2VMP - SER PLP n/a n/a
7 1YJY - PLP SER n/a n/a
8 2VMW - SER PLP n/a n/a
9 2W7K - SER PLP n/a n/a
10 1KL1 - PLP GLY n/a n/a
11 2W7J - GLY PLP n/a n/a
12 2W7M - GLY PLP n/a n/a
13 2VMX - PLP ALO n/a n/a
14 1YJZ - PLP C8 H10 N O6 P Cc1c(c(c(c....
15 2VMT - SER PLP n/a n/a
16 2W7G - PLP ALO n/a n/a
17 1YJS - PLP GLY n/a n/a
18 4WXG - 2BO C12 H19 N2 O8 P Cc1c(c(c(c....
19 4WXB - CIT C6 H8 O7 C(C(=O)O)C....
20 4WXF - PLG C10 H15 N2 O7 P Cc1c(c(c(c....
21 5GVN ic50 = 90 nM G6F C26 H25 F N4 O3 Cc1c2c(n[n....
22 5XMV - 8AU C24 H20 Cl F3 N4 O Cc1c2c(n[n....
23 5YFZ - 8UO C24 H28 F N5 O3 Cc1c2c(n[n....
24 5XMQ - 8A6 C32 H30 F3 N5 O3 S Cc1c2c(n[n....
25 4TN4 - 33G C25 H20 F N5 O Cc1c2c(n[n....
26 5GVL ic50 = 42 nM GI8 C24 H23 N5 O2 S Cc1c2c(n[n....
27 5XMP - 8A3 C27 H25 F6 N5 O3 S Cc1c2c(n[n....
28 5GVM ic50 = 186 nM G57 C26 H23 F3 N4 O3 Cc1c2c(n[n....
29 5XMS - 8B3 C24 H20 F4 N4 O Cc1c2c(n[n....
30 5YG4 - 8UF C25 H28 F N5 O3 Cc1c2c(n[n....
31 5XMU - 8A0 C25 H23 F3 N4 O Cc1ccccc1c....
32 5YG3 - 8UC C23 H20 F N5 O Cc1c2c(n[n....
33 5GVK Kd = 99 nM G45 C24 H24 N6 O3 S2 Cc1c2c(n[n....
34 5YG2 - N05 C25 H30 F N5 O3 Cc1c2c(n[n....
35 5GVP ic50 = 165 nM GCF C27 H25 F3 N4 O3 Cc1c2c(n[n....
36 5V7I - GLY C2 H5 N O2 C(C(=O)O)N
37 1DFO - PLG C10 H15 N2 O7 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PLG; Similar ligands found: 74
No: Ligand ECFP6 Tc MDL keys Tc
1 PLG 1 1
2 IK2 0.666667 0.890625
3 EA5 0.661972 0.921875
4 PDA 0.651515 0.918033
5 PP3 0.651515 0.918033
6 PDD 0.651515 0.918033
7 P1T 0.651515 0.890625
8 PPD 0.647059 0.966667
9 33P 0.641791 0.901639
10 PLA 0.637681 0.90625
11 TLP 0.632353 0.918033
12 5PA 0.632353 0.890625
13 2BK 0.632353 0.918033
14 PLS 0.632353 0.934426
15 2BO 0.632353 0.918033
16 IN5 0.630769 0.885246
17 C6P 0.623188 0.934426
18 PGU 0.619718 0.935484
19 PDG 0.619718 0.935484
20 PY5 0.614286 0.876923
21 PL2 0.611111 0.794118
22 PMG 0.611111 0.878788
23 76U 0.60274 0.890625
24 KAM 0.597403 0.890625
25 CBA 0.597222 0.875
26 7XF 0.597222 0.904762
27 ILP 0.597222 0.888889
28 N5F 0.594595 0.920635
29 PSZ 0.594595 0.808824
30 QLP 0.589041 0.878788
31 LPI 0.589041 0.865672
32 PXP 0.583333 0.8
33 HEY 0.581081 0.90625
34 PY6 0.581081 0.850746
35 PMP 0.57377 0.866667
36 ORX 0.573333 0.890625
37 3LM 0.573333 0.850746
38 PE1 0.565789 0.890625
39 GT1 0.564516 0.746032
40 PMH 0.56338 0.706667
41 PXG 0.551282 0.873016
42 PL4 0.551282 0.890625
43 RW2 0.551282 0.835821
44 7TS 0.533333 0.714286
45 AQ3 0.53012 0.876923
46 DCS 0.526316 0.746667
47 9YM 0.506329 0.818182
48 PL8 0.487805 0.791667
49 1D0 0.476744 0.835821
50 7B9 0.47619 0.826087
51 PLP 2KZ 0.473684 0.84127
52 PLP 0.46875 0.75
53 PLR 0.467742 0.704918
54 P0P 0.454545 0.75
55 PPG 0.452381 0.861538
56 RMT 0.447059 0.776119
57 EVM 0.441558 0.796875
58 PZP 0.439394 0.754098
59 AN7 0.438356 0.754098
60 DOW 0.434343 0.838235
61 FOO 0.432432 0.790323
62 LCS 0.432099 0.688312
63 CAN PLP 0.428571 0.835821
64 FEV 0.428571 0.727273
65 2B6 0.426966 0.653846
66 PL6 0.425 0.793651
67 4LM 0.421053 0.738462
68 0JO 0.421053 0.727273
69 GBC PLP 0.418605 0.828125
70 GAB PLP 0.418605 0.828125
71 F0G 0.415584 0.774194
72 0LD 0.412371 0.627907
73 KOU 0.410256 0.809524
74 PLP CYS 0.4 0.873016
Ligand no: 2; Ligand: GI8; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 GI8 1 1
2 G45 0.676768 0.73494
3 8A0 0.472222 0.785714
4 8B3 0.463636 0.774648
5 8AU 0.459459 0.763889
6 8UO 0.439655 0.670455
7 N05 0.428571 0.670455
8 8A3 0.428571 0.724138
9 G6F 0.425 0.730769
10 G57 0.421488 0.75
11 8A6 0.412698 0.715909
12 GCF 0.41129 0.730769
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5GVL; Ligand: PLG; Similar sites found with APoc: 130
This union binding pocket(no: 1) in the query (biounit: 5gvl.bio2) has 40 residues
No: Leader PDB Ligand Sequence Similarity
1 5YKT PMP 1.35747
2 4UOX PLP 1.58371
3 1ELU PDA 1.79487
4 1ELU CSS 1.79487
5 5TXR PLP 1.80995
6 3CQ5 PMP 1.89702
7 4R5Z PMP 1.90736
8 6DND PLP 1.94647
9 5K8B PDG 1.98511
10 5W70 9YM 2.0362
11 4OUE IPT 2.0362
12 4FL0 PLP 2.0362
13 1U08 PLP 2.07254
14 1DJ9 KAM 2.08333
15 6C92 EQJ 2.12766
16 6C8T EQJ 2.12766
17 6C9B EGV 2.12766
18 1AJS PLA 2.18447
19 6CZY PMP 2.20994
20 2ZC0 PMP 2.2113
21 4AZJ SEP PLP 2.22222
22 2FYF PLP 2.26131
23 4UHO PLP 2.26244
24 5G4J EXT 2.26244
25 4IY7 KOU 2.267
26 4IY7 0JO 2.267
27 4IYO 0JO 2.267
28 1CL2 PPG 2.27848
29 4HVK PMP 2.35602
30 4JCA CIT 2.39521
31 4B98 PXG 2.48869
32 6EWR PMP 2.48869
33 3QTP 2PG 2.49433
34 1BRW URA 2.54042
35 5W3Y IHP 2.55682
36 3ITJ CIT 2.66272
37 4GNC ASO 2.67559
38 4FIL 0UE 2.68199
39 4ZSY RW2 2.71493
40 5W71 PLP 2.72727
41 1ZC9 PMP 2.77136
42 1GEX PLP HSA 2.80899
43 4A7W GTP 2.91667
44 3PY5 AMP 2.91971
45 3WGC PLG 2.93255
46 1KC7 PPR 2.94118
47 1M32 PLP 3.00546
48 5M3Z PLP 3.01508
49 5M3Z PY6 3.01508
50 5M3Z NLE 3.01508
51 4RKC PMP 3.01508
52 1MLY ACZ PLP 3.0303
53 3NZ1 3NY 3.06513
54 6FYQ PLP 3.16742
55 1WRA PC 3.24675
56 5X30 4LM 3.26633
57 5X30 7XF 3.26633
58 5X2Z 3LM 3.26633
59 2XBN PMP 3.27869
60 4ZAH T5K 3.28283
61 3BS8 PMP 3.42466
62 5WUK 73K 3.55191
63 1LC8 33P 3.84615
64 5WYF ILP 3.84615
65 2P1E LAC 3.85852
66 2R5C C6P 4.1958
67 2R5E QLP 4.1958
68 2Z9V PXM 4.33673
69 2HOX P1T 4.44965
70 3PD6 PMP 4.48878
71 3PDB PMP 4.48878
72 1PMO PLR 4.52489
73 5O5Y GLC 4.52489
74 1VJO PLP 4.58015
75 2QES ADE 4.5977
76 5BXV MGP 4.6875
77 1U26 IHS 4.74777
78 1GPM CIT 4.75113
79 5G09 6DF 4.75113
80 2QTZ FAD 4.75113
81 1UU1 PMP HSA 4.77612
82 4LNL PLG 4.8048
83 4LNL 2BO 4.8048
84 4LNL 2BK 4.8048
85 2WK9 PLG 4.88432
86 1GDE GLU PLP 4.88432
87 2WK9 PLP 4.88432
88 5NM7 GLY 4.88722
89 1B9I PXG 4.89691
90 5FII PHE 4.90196
91 5G3L SIA 5.05051
92 5G3L SIA GAL 5.05051
93 1TOI HCI 5.05051
94 5FPE 3TR 5.16796
95 1WOG 16D 5.2459
96 1FHX 4IP 5.42636
97 1GCK ASP PLP 5.45455
98 1KQR MNA 5.58659
99 3K0T BGC 5.59441
100 4IV9 TSR 5.65611
101 4ADC PLP 5.66502
102 1E5F PLP 5.69307
103 1FC4 AKB PLP 5.73566
104 1LW4 PLP 5.76369
105 1LW4 TLP 5.76369
106 4K2M O1G 6.33484
107 2R2N PMP 6.35294
108 1H8P PC 6.42202
109 6ECG PM9 6.78733
110 3A8U PLP 6.78733
111 2TPL HPP 6.78733
112 5C2F JTH 6.83453
113 1OYJ GSH 6.92641
114 6C3C EJ1 7.02179
115 4AG5 ADP 7.90816
116 4BA5 PXG 7.91855
117 2ZO9 MLI 8.39416
118 5LUB 3Y7 8.77863
119 3N1S 5GP 10.084
120 5VEQ PMP 10.219
121 1RJW ETF 10.3245
122 6CGZ HL6 10.6383
123 3ZRR PXG 10.6771
124 2OAT PFM 10.7062
125 5W19 9TD 11.086
126 1M7Y PPG 12.1839
127 5KK4 44E 12.5
128 1JS3 PLP 142 14.4033
129 1WYV PLP AOA 14.7059
130 3VP6 HLD 16.5158
Pocket No.: 2; Query (leader) PDB : 5GVL; Ligand: PLG; 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: 5gvl.bio2) has 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5GVL; Ligand: GI8; Similar sites found with APoc: 130
This union binding pocket(no: 3) in the query (biounit: 5gvl.bio2) has 40 residues
No: Leader PDB Ligand Sequence Similarity
1 5YKT PMP 1.35747
2 4UOX PLP 1.58371
3 1ELU PDA 1.79487
4 1ELU CSS 1.79487
5 5TXR PLP 1.80995
6 3CQ5 PMP 1.89702
7 4R5Z PMP 1.90736
8 6DND PLP 1.94647
9 5K8B PDG 1.98511
10 5W70 9YM 2.0362
11 4OUE IPT 2.0362
12 4FL0 PLP 2.0362
13 1U08 PLP 2.07254
14 1DJ9 KAM 2.08333
15 6C92 EQJ 2.12766
16 6C8T EQJ 2.12766
17 6C9B EGV 2.12766
18 1AJS PLA 2.18447
19 6CZY PMP 2.20994
20 2ZC0 PMP 2.2113
21 4AZJ SEP PLP 2.22222
22 2FYF PLP 2.26131
23 4UHO PLP 2.26244
24 5G4J EXT 2.26244
25 4IY7 KOU 2.267
26 4IY7 0JO 2.267
27 4IYO 0JO 2.267
28 1CL2 PPG 2.27848
29 4HVK PMP 2.35602
30 4JCA CIT 2.39521
31 4B98 PXG 2.48869
32 6EWR PMP 2.48869
33 3QTP 2PG 2.49433
34 1BRW URA 2.54042
35 5W3Y IHP 2.55682
36 3ITJ CIT 2.66272
37 4GNC ASO 2.67559
38 4FIL 0UE 2.68199
39 4ZSY RW2 2.71493
40 5W71 PLP 2.72727
41 1ZC9 PMP 2.77136
42 1GEX PLP HSA 2.80899
43 4A7W GTP 2.91667
44 3PY5 AMP 2.91971
45 3WGC PLG 2.93255
46 1KC7 PPR 2.94118
47 1M32 PLP 3.00546
48 5M3Z PLP 3.01508
49 5M3Z PY6 3.01508
50 5M3Z NLE 3.01508
51 4RKC PMP 3.01508
52 1MLY ACZ PLP 3.0303
53 3NZ1 3NY 3.06513
54 6FYQ PLP 3.16742
55 1WRA PC 3.24675
56 5X30 4LM 3.26633
57 5X30 7XF 3.26633
58 5X2Z 3LM 3.26633
59 2XBN PMP 3.27869
60 4ZAH T5K 3.28283
61 3BS8 PMP 3.42466
62 5WUK 73K 3.55191
63 1LC8 33P 3.84615
64 5WYF ILP 3.84615
65 2P1E LAC 3.85852
66 2R5C C6P 4.1958
67 2R5E QLP 4.1958
68 2Z9V PXM 4.33673
69 2HOX P1T 4.44965
70 3PD6 PMP 4.48878
71 3PDB PMP 4.48878
72 1PMO PLR 4.52489
73 5O5Y GLC 4.52489
74 1VJO PLP 4.58015
75 2QES ADE 4.5977
76 5BXV MGP 4.6875
77 1U26 IHS 4.74777
78 1GPM CIT 4.75113
79 5G09 6DF 4.75113
80 2QTZ FAD 4.75113
81 1UU1 PMP HSA 4.77612
82 4LNL PLG 4.8048
83 4LNL 2BO 4.8048
84 4LNL 2BK 4.8048
85 2WK9 PLG 4.88432
86 1GDE GLU PLP 4.88432
87 2WK9 PLP 4.88432
88 5NM7 GLY 4.88722
89 1B9I PXG 4.89691
90 5FII PHE 4.90196
91 5G3L SIA 5.05051
92 5G3L SIA GAL 5.05051
93 1TOI HCI 5.05051
94 5FPE 3TR 5.16796
95 1WOG 16D 5.2459
96 1FHX 4IP 5.42636
97 1GCK ASP PLP 5.45455
98 1KQR MNA 5.58659
99 3K0T BGC 5.59441
100 4IV9 TSR 5.65611
101 4ADC PLP 5.66502
102 1E5F PLP 5.69307
103 1FC4 AKB PLP 5.73566
104 1LW4 PLP 5.76369
105 1LW4 TLP 5.76369
106 4K2M O1G 6.33484
107 2R2N PMP 6.35294
108 1H8P PC 6.42202
109 6ECG PM9 6.78733
110 3A8U PLP 6.78733
111 2TPL HPP 6.78733
112 5C2F JTH 6.83453
113 1OYJ GSH 6.92641
114 6C3C EJ1 7.02179
115 4AG5 ADP 7.90816
116 4BA5 PXG 7.91855
117 2ZO9 MLI 8.39416
118 5LUB 3Y7 8.77863
119 3N1S 5GP 10.084
120 5VEQ PMP 10.219
121 1RJW ETF 10.3245
122 6CGZ HL6 10.6383
123 3ZRR PXG 10.6771
124 2OAT PFM 10.7062
125 5W19 9TD 11.086
126 1M7Y PPG 12.1839
127 5KK4 44E 12.5
128 1JS3 PLP 142 14.4033
129 1WYV PLP AOA 14.7059
130 3VP6 HLD 16.5158
Pocket No.: 4; Query (leader) PDB : 5GVL; Ligand: GI8; 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: 5gvl.bio2) has 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5GVL; Ligand: GI8; Similar sites found with APoc: 95
This union binding pocket(no: 5) in the query (biounit: 5gvl.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
1 4JE5 PLP 1.35747
2 4JE5 PMP 1.35747
3 2HZY DHJ 1.42518
4 4A59 AMP 1.58371
5 4E1O PLP PVH 1.58371
6 4UOX PUT 1.58371
7 3EI9 PL6 1.85185
8 4R5Z SIN 1.90736
9 5LUN OGA 1.98864
10 1WB4 SXX 2.0202
11 1IH7 GMP 2.0362
12 1V6A TRE 2.10843
13 3CTL S6P 2.1645
14 3VSV XYP 2.48869
15 1RQH PYR 2.48869
16 5Z74 SUC 2.48869
17 2W41 ADP 2.48869
18 2F6D ACR 2.48869
19 4D52 GXL 2.53968
20 5RHN 8BR 2.6087
21 1QS8 IVA VAL VAL STA ALA STA 2.73556
22 4GAH 0ET 2.87081
23 2EFJ 37T 3.125
24 2IYL GDP 3.16742
25 1EI6 PPF 3.20197
26 5HWK BEZ 3.33333
27 2VAR KDF 3.51438
28 2VAR KDG 3.51438
29 4XW2 SIM 3.53535
30 5KL0 G16 3.61991
31 1Q23 FUA 3.65297
32 1A8S PPI 3.663
33 2RJH DCS 3.69393
34 1MJT ITU 3.7464
35 1L7P SEP 3.79147
36 1SQI 869 3.81679
37 5JP0 BGC 3.84615
38 4UYF 73B 3.8961
39 4LS3 HIS 3.9039
40 2YDW WSH 3.92157
41 2JG1 TA6 3.93939
42 2C1Q BTN 3.96825
43 5VNB ALA THR ALY ALA ALA ARG ALY SER ALA PRO 4.05405
44 6A4R ASP 4.15094
45 5CKS GAL 4.2735
46 5VEO AMP 4.32692
47 2JBM SRT 4.34783
48 3HKA FIX 4.44965
49 4N2R AHR 4.49102
50 5M7S NHT 4.52489
51 2DVZ GLU 4.77707
52 3B00 16A 4.77941
53 2A8Y MTA 4.81482
54 5IWQ PLP 4.83871
55 3NJQ NJQ 5.18135
56 5BV3 M7G 5.21739
57 4PSR FUL 5.65611
58 1JQY A32 5.82524
59 5VYQ TYD 5.88235
60 3EW2 BTN 5.92593
61 4AZ6 OAN 5.97701
62 2HVW DCP 5.97826
63 2P3I MNA 6.21118
64 2WCV FUC 6.42857
65 5JLB SAH 6.45161
66 1SFF IK2 6.57277
67 5DDW 5B6 6.78733
68 5F7J ADE 6.875
69 5GMH RX8 7.01357
70 4D06 NAR 7.06714
71 4MPO AMP 7.18954
72 1S14 NOV 7.2165
73 2HW1 FRU 7.38255
74 2YKL NLD 7.54717
75 5Y79 3PG 7.59878
76 5YV5 ADP 7.69231
77 1WUU ANP 8.02005
78 1T0S BML 8.13953
79 6F8A HIS 8.75
80 1W96 S1A 9.04977
81 2VPY PCI 9.23077
82 1KTG AMP 9.42029
83 2AWN ADP 9.71129
84 1YRX FMN 9.91736
85 4EIL CB3 10.181
86 6AY3 C3J 10.4348
87 2VOH CIT 10.828
88 1Q3P GLU ALA GLN THR ARG LEU 11.9266
89 3UYW TAU 12.1495
90 5TBM 79A 15.3846
91 3FQ8 PMP 15.9251
92 2GQS ADP 18.1435
93 2BS5 BGC GAL FUC 26.6667
94 3HQR OGA 29.4118
95 2QIE 8CS 35.0649
Pocket No.: 6; Query (leader) PDB : 5GVL; Ligand: GI8; Similar sites found with APoc: 61
This union binding pocket(no: 6) in the query (biounit: 5gvl.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
1 4J6W C None
2 3WRB GDE 1.43541
3 4UOX PLP PUT 1.58371
4 2PP3 LGT 1.75879
5 3N9R TD3 1.9544
6 1YQT ADP 2.0362
7 4ZO3 C6L 2.04082
8 3TII ANP 2.10526
9 4B1W LAB 2.12766
10 5XSS XYP 2.21519
11 3UZO PLP 2.23464
12 2VWT PYR 2.24719
13 5EO8 TFU 2.2508
14 6CBN OZY 2.26244
15 2ZYJ PGU 2.267
16 1H5T TYD 2.38908
17 4YUS FMN 2.6178
18 3WQM B29 2.65781
19 1GAH ACR 2.71493
20 6H45 QEI 2.80612
21 4UWM FMN 2.91005
22 1DNP MHF 2.94118
23 2XIQ 5AD 3.16742
24 1TFZ 869 3.16742
25 1MXG ACR 3.21839
26 5TPC GAL SIA NGA GAL SIA 3.29412
27 5GP0 GPP 3.3557
28 2CFC KPC 3.6
29 1VC9 ATP 3.96825
30 1VJ7 GDP 4.07125
31 3RHC GSH 4.42478
32 5F4B FMN 4.45545
33 5ARK UMP 4.47761
34 5M90 JIF 4.52489
35 3BY9 SIN 4.61538
36 4UP4 NDG 4.73815
37 4UP4 NAG 4.73815
38 4RM0 FUC NAG GAL 5.06329
39 3QRY DMJ 5.16432
40 5L3W GDP 5.22876
41 3A76 SPD 5.68182
42 3CEV ARG 5.68562
43 5FQ0 FLC 6.14035
44 3O0W MAN MAN MAN GLC 6.22711
45 3GLC R5P 6.44068
46 3MMH SME 6.58683
47 4GCZ ADP 6.75325
48 5N0L ILE 6.91824
49 4XZ3 ACP 6.95652
50 1M5W DXP 6.99588
51 5Z9S BGC 7.01357
52 1UY4 XYP XYP XYP XYP 8.27586
53 3H2K BOG 9.06801
54 3P3N AKG 9.74212
55 3HYK A3P 9.83607
56 1WCB PE1 11.0619
57 3NNF AKG 11.3372
58 6H1U ASP 11.4983
59 2EB5 OXL 12.3596
60 1J1R ADE 14.5594
61 2V73 SIA 16.7539
Pocket No.: 7; Query (leader) PDB : 5GVL; Ligand: PLG; Similar sites found with APoc: 112
This union binding pocket(no: 7) in the query (biounit: 5gvl.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
1 4J6W C None
2 4JE5 PLP 1.35747
3 4JE5 PMP 1.35747
4 2HZY DHJ 1.42518
5 3WRB GDE 1.43541
6 4E1O PLP PVH 1.58371
7 4UOX PUT 1.58371
8 4UOX PLP PUT 1.58371
9 2PP3 LGT 1.75879
10 3EI9 PL6 1.85185
11 4R5Z SIN 1.90736
12 3N9R TD3 1.9544
13 5LUN OGA 1.98864
14 1WB4 SXX 2.0202
15 1YQT ADP 2.0362
16 4ZO3 C6L 2.04082
17 3TII ANP 2.10526
18 1V6A TRE 2.10843
19 4B1W LAB 2.12766
20 3CTL S6P 2.1645
21 5XSS XYP 2.21519
22 3UZO PLP 2.23464
23 2VWT PYR 2.24719
24 5EO8 TFU 2.2508
25 6CBN OZY 2.26244
26 2ZYJ PGU 2.267
27 1H5T TYD 2.38908
28 2F6D ACR 2.48869
29 2W41 ADP 2.48869
30 4D52 GXL 2.53968
31 5RHN 8BR 2.6087
32 4YUS FMN 2.6178
33 3WQM B29 2.65781
34 1GAH ACR 2.71493
35 1QS8 IVA VAL VAL STA ALA STA 2.73556
36 6H45 QEI 2.80612
37 4UWM FMN 2.91005
38 1DNP MHF 2.94118
39 2XIQ 5AD 3.16742
40 2IYL GDP 3.16742
41 1TFZ 869 3.16742
42 1MXG ACR 3.21839
43 5TPC GAL SIA NGA GAL SIA 3.29412
44 5HWK BEZ 3.33333
45 5GP0 GPP 3.3557
46 2VAR KDG 3.51438
47 2VAR KDF 3.51438
48 2CFC KPC 3.6
49 2RJH DCS 3.69393
50 1L7P SEP 3.79147
51 5JP0 BGC 3.84615
52 4LS3 HIS 3.9039
53 2C1Q BTN 3.96825
54 1VC9 ATP 3.96825
55 5VNB ALA THR ALY ALA ALA ARG ALY SER ALA PRO 4.05405
56 1VJ7 GDP 4.07125
57 6A4R ASP 4.15094
58 5CKS GAL 4.2735
59 5VEO AMP 4.32692
60 2JBM SRT 4.34783
61 3RHC GSH 4.42478
62 5F4B FMN 4.45545
63 5ARK UMP 4.47761
64 5M90 JIF 4.52489
65 3BY9 SIN 4.61538
66 4UP4 NAG 4.73815
67 4UP4 NDG 4.73815
68 2A8Y MTA 4.81482
69 5IWQ PLP 4.83871
70 4RM0 FUC NAG GAL 5.06329
71 3QRY DMJ 5.16432
72 5L3W GDP 5.22876
73 4PSR FUL 5.65611
74 3A76 SPD 5.68182
75 3CEV ARG 5.68562
76 5VYQ TYD 5.88235
77 2HVW DCP 5.97826
78 5FQ0 FLC 6.14035
79 3O0W MAN MAN MAN GLC 6.22711
80 2WCV FUC 6.42857
81 3GLC R5P 6.44068
82 5JLB SAH 6.45161
83 1SFF IK2 6.57277
84 3MMH SME 6.58683
85 4GCZ ADP 6.75325
86 5DDW 5B6 6.78733
87 5N0L ILE 6.91824
88 4XZ3 ACP 6.95652
89 1M5W DXP 6.99588
90 5Z9S BGC 7.01357
91 5GMH RX8 7.01357
92 2HW1 FRU 7.38255
93 2YKL NLD 7.54717
94 5Y79 3PG 7.59878
95 5YV5 ADP 7.69231
96 1WUU ANP 8.02005
97 1UY4 XYP XYP XYP XYP 8.27586
98 6F8A HIS 8.75
99 3H2K BOG 9.06801
100 1KTG AMP 9.42029
101 3P3N AKG 9.74212
102 3HYK A3P 9.83607
103 1YRX FMN 9.91736
104 1WCB PE1 11.0619
105 3NNF AKG 11.3372
106 6H1U ASP 11.4983
107 2EB5 OXL 12.3596
108 1J1R ADE 14.5594
109 5TBM 79A 15.3846
110 3FQ8 PMP 15.9251
111 2V73 SIA 16.7539
112 2BS5 BGC GAL FUC 26.6667
Pocket No.: 8; Query (leader) PDB : 5GVL; Ligand: PLG; Similar sites found with APoc: 44
This union binding pocket(no: 8) in the query (biounit: 5gvl.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
1 4A59 AMP 1.58371
2 1IH7 GMP 2.0362
3 3VSV XYP 2.48869
4 1RQH PYR 2.48869
5 5Z74 SUC 2.48869
6 4GAH 0ET 2.87081
7 2EFJ 37T 3.125
8 1EI6 PPF 3.20197
9 4XW2 SIM 3.53535
10 5KL0 G16 3.61991
11 1Q23 FUA 3.65297
12 1A8S PPI 3.663
13 1MJT ITU 3.7464
14 1SQI 869 3.81679
15 4UYF 73B 3.8961
16 2YDW WSH 3.92157
17 2JG1 TA6 3.93939
18 3HKA FIX 4.44965
19 4N2R AHR 4.49102
20 5M7S NHT 4.52489
21 2DVZ GLU 4.77707
22 3B00 16A 4.77941
23 3NJQ NJQ 5.18135
24 5BV3 M7G 5.21739
25 1JQY A32 5.82524
26 3EW2 BTN 5.92593
27 4AZ6 OAN 5.97701
28 2P3I MNA 6.21118
29 5F7J ADE 6.875
30 4D06 NAR 7.06714
31 4MPO AMP 7.18954
32 1S14 NOV 7.2165
33 1T0S BML 8.13953
34 1W96 S1A 9.04977
35 2VPY PCI 9.23077
36 2AWN ADP 9.71129
37 4EIL CB3 10.181
38 6AY3 C3J 10.4348
39 2VOH CIT 10.828
40 1Q3P GLU ALA GLN THR ARG LEU 11.9266
41 3UYW TAU 12.1495
42 2GQS ADP 18.1435
43 3HQR OGA 29.4118
44 2QIE 8CS 35.0649
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