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Receptor
PDB id Resolution Class Description Source Keywords
6CI5 2 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF THE FORMYLTRANSFERASE PSEJ FROM ANOXYBA KAMCHATKENSIS IN COMPLEX WITH UDP-4,6-DIDEOXY-4-FORMAMIDO-LA ND TETRAHYDROFOLATE ANOXYBACILLUS KAMCHATKENSIS G10 FORMYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURAL INSIGHT INTO A NOVEL FORMYLTRANSFERASE A EVOLUTION TO A NONRIBOSOMAL PEPTIDE SYNTHETASE TAIL DOMAIN. ACS CHEM. BIOL. V. 13 3161 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:301;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
1YJ A:303;
Valid;
Atoms found LESS than expected: % Diff = 0.594;
submit data
445.429 C19 H23 N7 O6 c1cc(...
F5G A:302;
Valid;
none;
submit data
618.38 C18 H28 N4 O16 P2 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6EDK 1.8 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF THE FORMYLTRANSFERASE PSEJ FROM ANOXYBA KAMCHATKENSIS WITH N10-FORMYLTETRAHYDROFOLATE ANOXYBACILLUS KAMCHATKENSIS G10 FORMYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURAL INSIGHT INTO A NOVEL FORMYLTRANSFERASE A EVOLUTION TO A NONRIBOSOMAL PEPTIDE SYNTHETASE TAIL DOMAIN. ACS CHEM. BIOL. V. 13 3161 2018
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 6CI4 - F5P C17 H28 N4 O15 P2 C[C@H]1[C@....
2 6CI5 - 1YJ C19 H23 N7 O6 c1cc(ccc1C....
3 6EDK - 1YA C20 H23 N7 O7 c1cc(ccc1C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 6CI4 - F5P C17 H28 N4 O15 P2 C[C@H]1[C@....
2 6CI5 - 1YJ C19 H23 N7 O6 c1cc(ccc1C....
3 6EDK - 1YA C20 H23 N7 O7 c1cc(ccc1C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 6CI4 - F5P C17 H28 N4 O15 P2 C[C@H]1[C@....
2 6CI5 - 1YJ C19 H23 N7 O6 c1cc(ccc1C....
3 6EDK - 1YA C20 H23 N7 O7 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1YJ; Similar ligands found: 26
No: Ligand ECFP6 Tc MDL keys Tc
1 THG 1 1
2 1YJ 1 1
3 1YA 0.66 0.954545
4 C2F 0.623762 0.887324
5 FFO 0.617647 0.926471
6 FON 0.518182 0.926471
7 THF 0.490909 0.873239
8 9L9 0.484848 0.892308
9 TLL 0.478632 0.863014
10 MEF 0.469027 0.84
11 DHF 0.462963 1
12 THH 0.455357 0.733333
13 GHC 0.454545 0.684211
14 3TZ 0.452174 0.774648
15 28Z 0.452174 0.838235
16 29D 0.452174 0.838235
17 29C 0.452174 0.838235
18 83A 0.45045 0.826087
19 GHW 0.449541 0.693333
20 FOL 0.428571 0.863636
21 DZF 0.428571 0.848485
22 LYA 0.422018 0.782609
23 DXY 0.401786 0.777778
24 DXZ 0.401786 0.777778
25 DDF 0.4 0.910448
26 21V 0.4 0.910448
Ligand no: 2; Ligand: F5G; Similar ligands found: 69
No: Ligand ECFP6 Tc MDL keys Tc
1 F5G 1 1
2 F5P 0.782178 0.985507
3 UD4 0.782178 0.985507
4 HP7 0.745098 0.985294
5 UD2 0.742574 0.971014
6 UD1 0.742574 0.971014
7 UD7 0.711538 1
8 MJZ 0.704762 0.957143
9 UDZ 0.688073 0.893333
10 EPZ 0.660714 0.985507
11 EEB 0.654867 0.971429
12 UGB 0.640777 0.970588
13 UGA 0.640777 0.970588
14 EPU 0.640351 0.943662
15 UPG 0.623762 0.956522
16 GUD 0.623762 0.956522
17 GDU 0.623762 0.956522
18 UFM 0.623762 0.956522
19 4RA 0.615385 0.894737
20 UMA 0.61157 0.985507
21 12V 0.607143 0.916667
22 HWU 0.607143 0.916667
23 UDX 0.605769 0.956522
24 UAD 0.605769 0.956522
25 USQ 0.59434 0.835443
26 UFG 0.590476 0.90411
27 UPF 0.590476 0.90411
28 U2F 0.590476 0.90411
29 UDM 0.581818 0.929577
30 UDP 0.578947 0.927536
31 UTP 0.57732 0.927536
32 G3N 0.574074 0.929577
33 U22 0.570312 0.85
34 U20 0.570312 0.871795
35 U21 0.570312 0.871795
36 UNP 0.56 0.901408
37 UAG 0.551471 0.931507
38 UD0 0.547445 0.883117
39 IUG 0.542373 0.825
40 UDH 0.537736 0.831169
41 660 0.53271 0.915493
42 URM 0.53271 0.915493
43 3UC 0.526786 0.90411
44 UPP 0.523364 0.928571
45 UPU 0.519231 0.927536
46 U 0.515789 0.913043
47 U5P 0.515789 0.913043
48 UML 0.506757 0.871795
49 44P 0.5 0.888889
50 UDP UDP 0.5 0.898551
51 2KH 0.495146 0.901408
52 PMP UD1 0.485714 0.848101
53 2QR 0.460432 0.8375
54 C5G 0.448276 0.90411
55 Y6W 0.447368 0.878378
56 UP5 0.4375 0.844156
57 4TG 0.435484 0.918919
58 U U 0.431034 0.914286
59 CXY 0.420168 0.90411
60 4TC 0.419847 0.822785
61 UAG API 0.41875 0.87013
62 CSV 0.414634 0.842105
63 CSQ 0.414634 0.842105
64 URI 0.410526 0.826087
65 2GW 0.408 0.916667
66 1GW 0.407692 0.88
67 U1S 0.40708 0.789474
68 1YF 0.404762 0.918919
69 FNF 0.404762 0.918919
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6EDK; Ligand: 1YA; Similar sites found with APoc: 86
This union binding pocket(no: 1) in the query (biounit: 6edk.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 4DDY DN6 1.14068
2 4CCW VKC 1.38249
3 2Z9I GLY ALA THR VAL 1.84332
4 1KJ8 GAR 2.30415
5 1J1R ADE 2.30415
6 4WNP 3RJ 2.30415
7 4LIK CIT 2.76498
8 3B6R CRN 2.76498
9 5T63 ALA ALA ALA ALA 2.76498
10 3FXU TSU 3.22581
11 4LJ3 C2E 3.22581
12 4M6T SAM 3.27869
13 1O6B ADP 3.5503
14 1DKU AP2 3.68664
15 2G50 ALA 3.68664
16 3N3T C2E 3.68664
17 6BJO DUY 4
18 5GLN XYP XYP XYP 4.14747
19 1PVS 7HP 4.14747
20 4ZGR NGA GAL 4.14747
21 5FJJ MAN 4.60829
22 5E5U MLI 4.60829
23 4G86 BNT 4.60829
24 4FOJ C2E 4.60829
25 4UCC ZKW 4.60829
26 1W1A NDG 4.60829
27 1CFV E3G 5.04202
28 3HV8 C2E 5.06912
29 1RM8 BAT 5.32544
30 5JQ1 ZPF 5.51724
31 5YXC CIT 5.55556
32 1L5Y BEF 5.80645
33 5OCQ CIT 5.99078
34 4LH7 NMN 5.99078
35 4LH7 1X8 5.99078
36 1I1Q TRP 5.99078
37 1KNM LAT 6.15385
38 5F90 GLA GAL BGC 5VQ 6.41026
39 2EFX NFA 6.45161
40 5A96 GTP 6.91244
41 1N13 AG2 7.07965
42 1XPJ TLA 7.14286
43 6BMN PAP 7.37327
44 5D63 FUC GLA GLA 7.37327
45 3O5N BR0 8.03571
46 1A8S PPI 8.29493
47 1Y2W NAG 8.4507
48 3W9F I3P 8.46154
49 4OUJ LBT 8.75576
50 3B9Z CO2 9.21659
51 1QH9 LAC 9.48276
52 3AB4 THR 9.55056
53 3R4S SIA 10.1382
54 4LO2 GAL BGC 10.1382
55 4Z0G 5GP 10.1382
56 3RWO GDP 10.2703
57 6BR7 BEF 10.5263
58 2NV2 GLN 10.5991
59 2ZUX RAM 10.5991
60 5L2R MLA 10.5991
61 4IO2 GLU 10.5991
62 4RHS SIA SIA GAL 10.6557
63 5JBX MLI 11.0599
64 5O0X FAD 11.5207
65 5ZCO CHD 11.8644
66 5Z84 CHD 11.8644
67 1KZL CRM 12.0192
68 2Y69 CHD 12.8571
69 6C0B MLI 13.4615
70 5WJ6 B4A 14.7465
71 1GAR U89 19.3396
72 5VYR B62 21.659
73 5VYR GMP 21.659
74 4WQQ MAN 21.9858
75 3DCJ THH 23.2558
76 2ZQO NGA 23.8462
77 2BLN FON 25.8065
78 2BLN U5P 25.8065
79 1RC0 KT5 27.2727
80 4YFY 1YJ 30.4147
81 4TTS 6DD 35.9447
82 2CFI ZZZ 37.3272
83 5VYQ FON 40.553
84 5VYQ 0FX 40.553
85 4XCZ FON 42.3963
86 4XCZ T3Q 42.3963
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