Receptor
PDB id Resolution Class Description Source Keywords
5UIJ 1.9 Å EC: 2.-.-.- X-RAY STRUCTURE OF THE FDTF N-FORMYLTRANSFERASE FROM SALMONE ENTERIC O60 IN COMPLEX WITH TDP SALMONELLA CHOLERAESUIS ANKYRIN O-ANTIGEN LIPOPOLYSACCHARIDE TRANSFERASE
Ref.: MOLECULAR ARCHITECTURE OF AN N-FORMYLTRANSFERASE FR SALMONELLA ENTERICA O60. J. STRUCT. BIOL. 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:406;
B:404;
A:405;
A:404;
B:403;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
TYD B:402;
B:401;
A:402;
A:401;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
402.188 C10 H16 N2 O11 P2 CC1=C...
EDO A:403;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5UIJ 1.9 Å EC: 2.-.-.- X-RAY STRUCTURE OF THE FDTF N-FORMYLTRANSFERASE FROM SALMONE ENTERIC O60 IN COMPLEX WITH TDP SALMONELLA CHOLERAESUIS ANKYRIN O-ANTIGEN LIPOPOLYSACCHARIDE TRANSFERASE
Ref.: MOLECULAR ARCHITECTURE OF AN N-FORMYLTRANSFERASE FR SALMONELLA ENTERICA O60. J. STRUCT. BIOL. 2017
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 5UIM - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
2 5UIK - T3F C16 H27 N3 O14 P2 C[C@@H]1[C....
3 5UIL - T3F C16 H27 N3 O14 P2 C[C@@H]1[C....
4 5UIJ - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
5 5UIN - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4XCZ - FON C20 H23 N7 O7 c1cc(ccc1C....
2 4XD1 - FON C20 H23 N7 O7 c1cc(ccc1C....
3 4XD0 - T3F C16 H27 N3 O14 P2 C[C@@H]1[C....
4 5UIM - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
5 5UIK - T3F C16 H27 N3 O14 P2 C[C@@H]1[C....
6 5UIL - T3F C16 H27 N3 O14 P2 C[C@@H]1[C....
7 5UIJ - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
8 5UIN - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4XCZ - FON C20 H23 N7 O7 c1cc(ccc1C....
2 4XD1 - FON C20 H23 N7 O7 c1cc(ccc1C....
3 4XD0 - T3F C16 H27 N3 O14 P2 C[C@@H]1[C....
4 5UIM - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
5 5UIK - T3F C16 H27 N3 O14 P2 C[C@@H]1[C....
6 5UIL - T3F C16 H27 N3 O14 P2 C[C@@H]1[C....
7 5UIJ - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
8 5UIN - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TYD; Similar ligands found: 88
No: Ligand ECFP6 Tc MDL keys Tc
1 TYD 1 1
2 TTP 0.884058 1
3 TMP 0.80597 0.985714
4 TLO 0.716049 0.945205
5 DAU 0.694118 0.932432
6 18T 0.682353 0.932432
7 TDX 0.682353 0.945205
8 3R2 0.682353 0.92
9 1JB 0.682353 0.932432
10 TRH 0.682353 0.932432
11 ATY 0.670886 0.945205
12 3YN 0.666667 0.932432
13 DWN 0.666667 0.907895
14 T3F 0.666667 0.907895
15 T3Q 0.666667 0.907895
16 TBD 0.662338 0.958904
17 0N2 0.659091 0.896104
18 T46 0.659091 0.932432
19 AZD 0.654321 0.907895
20 MMF 0.651685 0.907895
21 0FX 0.651685 0.907895
22 LLT 0.641791 0.873239
23 THM 0.641791 0.873239
24 QDM 0.637363 0.896104
25 AKM 0.630435 0.886076
26 FNF 0.630435 0.92
27 JHZ 0.630435 0.884615
28 1YF 0.630435 0.92
29 4TG 0.623656 0.92
30 DUD 0.61039 0.957143
31 0DN 0.6 0.833333
32 UFP 0.6 0.905405
33 DT DT DT DT DT 0.582418 0.945205
34 QUH 0.58 0.907895
35 FUH 0.58 0.907895
36 T5A 0.572816 0.841463
37 5HU 0.571429 0.971831
38 BRU 0.571429 0.905405
39 FDM 0.564103 0.918919
40 NYM 0.564103 0.958333
41 5IU 0.564103 0.905405
42 DT DT PST 0.56383 0.881579
43 T3P 0.56 0.943662
44 THP 0.556962 0.971429
45 ATM 0.542169 0.894737
46 D3T 0.542169 0.971831
47 DUT 0.542169 0.957143
48 TXS 0.538462 0.789474
49 YYY 0.536585 0.891892
50 T3S 0.525 0.789474
51 BVP 0.52381 0.944444
52 ABT 0.521739 0.884615
53 DT DT DT 0.511364 0.878378
54 D4D 0.506024 0.928571
55 7SG 0.504274 0.864198
56 TQP 0.504274 0.864198
57 T5K 0.5 0.853659
58 TPE 0.5 0.894737
59 DT ME6 DT 0.5 0.87013
60 T4K 0.5 0.853659
61 2DT 0.5 0.957747
62 4TA 0.486486 0.807229
63 DCP 0.477273 0.891892
64 8DD 0.473118 0.8125
65 AZZ 0.469136 0.779221
66 UMP 0.469136 0.942857
67 DU 0.469136 0.942857
68 8GD 0.467391 0.829268
69 WMJ 0.452632 0.761905
70 D4T 0.449438 0.928571
71 DUP 0.449438 0.930556
72 6U4 0.447917 0.848101
73 DDN 0.439024 0.942857
74 3DT 0.428571 0.835616
75 UC5 0.425287 0.943662
76 ID2 0.423077 0.8
77 DT MA7 DT 0.420635 0.797619
78 8DG 0.418367 0.829268
79 DUN 0.41573 0.930556
80 DUT MG 0.413043 0.864865
81 5GW 0.410526 0.878378
82 DC 0.406977 0.878378
83 DCM 0.406977 0.878378
84 DT DC 0.405405 0.833333
85 ADS THS THS THS 0.403361 0.767442
86 74W 0.4 0.732558
87 D4M 0.4 0.914286
88 74X 0.4 0.732558
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5UIJ; Ligand: TYD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5uij.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5UIJ; Ligand: TYD; 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: 5uij.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5UIJ; Ligand: TYD; Similar sites found: 28
This union binding pocket(no: 3) in the query (biounit: 5uij.bio1) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4G86 BNT 0.01046 0.44753 1.76056
2 2Z9I GLY ALA THR VAL 0.03469 0.41468 2.46914
3 1IH7 GMP 0.02475 0.42041 3.20988
4 1DZT TPE 0.03483 0.41999 3.27869
5 3O5N BR0 0.02369 0.41001 3.57143
6 1Z08 GNP 0.01595 0.40071 5.88235
7 2Q2A ARG 0.03545 0.40487 6.61765
8 5FJJ MAN 0.0006564 0.57448 6.91358
9 2UYP PPI 0.01898 0.42944 6.97674
10 3B7G ANP 0.04182 0.40116 8.69565
11 1ZC3 GNP 0.009682 0.40489 9.71429
12 4M6T SAM 0.02755 0.41831 10.3825
13 3W9F I3P 0.04686 0.41733 14.6154
14 1ZD9 GDP 0.00933 0.42015 14.8936
15 1RC0 KT5 0.0000009557 0.54961 16.2679
16 4YDX TCE 0.01256 0.43539 16.4179
17 2CFI ZZZ 0.0001158 0.54448 18.541
18 1GAR U89 0.00002812 0.48848 21.2264
19 3DCJ THH 0.00000004213 0.68664 25.1163
20 2BLN FON 0.00000005419 0.59295 28.1967
21 2BLN U5P 0.0000002488 0.57246 28.1967
22 5VYQ FON 0.0000001166 0.68331 28.6275
23 5VYQ 0FX 0.00005391 0.54179 28.6275
24 4TTS 6DD 0.0000003144 0.60809 29.2453
25 4YFY 1YJ 0.00000003441 0.68201 29.5276
26 4YFY 0FX 0.007297 0.4488 29.5276
27 5VYR GMP 0.00000005594 0.59779 31.0345
28 5VYR B62 0.00000005594 0.59779 31.0345
Pocket No.: 4; Query (leader) PDB : 5UIJ; Ligand: TYD; 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: 5uij.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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