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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. V. 200 267 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. V. 200 267 2017
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 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: 87
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 1JB 0.682353 0.932432
7 TRH 0.682353 0.932432
8 3R2 0.682353 0.92
9 18T 0.682353 0.932432
10 TDX 0.682353 0.945205
11 ATY 0.670886 0.945205
12 3YN 0.666667 0.932432
13 DWN 0.666667 0.907895
14 T3Q 0.666667 0.907895
15 T3F 0.666667 0.907895
16 TBD 0.662338 0.958904
17 T46 0.659091 0.932432
18 0N2 0.659091 0.896104
19 AZD 0.654321 0.907895
20 MMF 0.651685 0.907895
21 0FX 0.651685 0.907895
22 THM 0.641791 0.873239
23 LLT 0.641791 0.873239
24 QDM 0.637363 0.896104
25 JHZ 0.630435 0.884615
26 1YF 0.630435 0.92
27 AKM 0.630435 0.886076
28 FNF 0.630435 0.92
29 4TG 0.623656 0.92
30 DT DT DT 0.616279 0.917808
31 DUD 0.61039 0.957143
32 UFP 0.6 0.905405
33 0DN 0.6 0.833333
34 DT DT DT DT DT 0.582418 0.945205
35 QUH 0.58 0.907895
36 FUH 0.58 0.907895
37 T5A 0.572816 0.841463
38 BRU 0.571429 0.905405
39 5HU 0.571429 0.971831
40 DT DT PST 0.569892 0.87013
41 FDM 0.564103 0.918919
42 5IU 0.564103 0.905405
43 NYM 0.564103 0.958333
44 T3P 0.56 0.943662
45 THP 0.556962 0.971429
46 D3T 0.542169 0.971831
47 DUT 0.542169 0.957143
48 ATM 0.542169 0.894737
49 TXS 0.538462 0.789474
50 YYY 0.536585 0.891892
51 T3S 0.525 0.789474
52 BVP 0.52381 0.944444
53 ABT 0.521739 0.884615
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 2DT 0.5 0.957747
59 TPE 0.5 0.894737
60 T4K 0.5 0.853659
61 DT ME6 DT 0.5 0.87013
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 DU 0.469136 0.942857
67 UMP 0.469136 0.942857
68 8GD 0.467391 0.829268
69 WMJ 0.452632 0.761905
70 DUP 0.449438 0.930556
71 D4T 0.449438 0.928571
72 6U4 0.447917 0.848101
73 ADS THS THS THS 0.444444 0.758621
74 DDN 0.439024 0.942857
75 3DT 0.428571 0.835616
76 UC5 0.425287 0.943662
77 ID2 0.423077 0.8
78 DT MA7 DT 0.420635 0.797619
79 8DG 0.418367 0.829268
80 DUN 0.41573 0.930556
81 5GW 0.410526 0.878378
82 DCM 0.406977 0.878378
83 DC 0.406977 0.878378
84 DT DC 0.405405 0.833333
85 74W 0.4 0.732558
86 74X 0.4 0.732558
87 D4M 0.4 0.914286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5UIJ; Ligand: TYD; Similar sites found with APoc: 71
This union binding pocket(no: 1) in the query (biounit: 5uij.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5NNT DPV None
2 2ALG DAO None
3 2VVM FAD 1.48148
4 2RGO FAD 1.48148
5 5DX0 SFG 1.7192
6 5DWQ SFG 1.7192
7 2IVD FAD 1.7284
8 5Z20 NAI 1.73913
9 6MPT C30 1.74825
10 4XYB NDP 2.04604
11 5DN9 NAD 2.1978
12 6AIN FAD 2.22222
13 5N6C NAD 2.33333
14 3TDC 0EU 2.46914
15 3L24 GOA 2.46914
16 3B9Z CO2 2.71605
17 4X9M FAD 2.71605
18 6CGN DA 2.71605
19 1TV5 N8E 2.71605
20 1J3I WRA 2.7439
21 2A92 NAI 2.80374
22 4OWK NGA 2.89855
23 6CB2 OLC 3.07167
24 1OQC FAD 3.2
25 3PPQ CHT 3.21543
26 1HG4 LPP 3.22581
27 5UGW GSH 3.42857
28 3X0D SAH 3.45679
29 1SOW NAD 3.65854
30 1EBL COA 3.78549
31 4DE3 DN8 3.80228
32 3O01 DXC 3.8961
33 1J49 NAD 3.9039
34 4Q0A 4OA 3.95062
35 1KJ1 MAN 4.58716
36 2ZYI STE 4.93827
37 1GEG GLC 5.07812
38 1LR8 IHS 5.40541
39 1TIW TFB 5.67901
40 1TIW FAD 5.67901
41 4PLT OXM 5.74018
42 4PLT NAI 5.74018
43 4H6Q TFB 5.92593
44 4H6Q FAD 5.92593
45 3TKY N7I 6.52174
46 5LX9 OLB 6.66667
47 4PLG NAI 6.88623
48 4PLG OXM 6.88623
49 4NMC FAD 7.65432
50 4TVD BGC 7.65432
51 1NU4 MLA 8.24742
52 2Y6Q FAD 8.54271
53 4GC1 MAN MAN 8.69565
54 1G2N EPH 8.71212
55 2R40 EPH 8.74525
56 2VVL FAD 9.1358
57 2DUR MAN MAN 9.48617
58 3OJO NAD 9.9768
59 3HRD FAD 10
60 3KFC 61X 10.2767
61 5ZZ6 NAD 10.5769
62 3KO0 TFP 10.8911
63 4OAV PO4 PO4 A A A A PO4 12.3457
64 4O1P 25L 12.5926
65 4LED XXR 13.806
66 2GWH PCI 15.4362
67 1WDY 25A 17.5439
68 4OIT MAN 17.6991
69 6AA8 NAD 17.8808
70 5W97 CHD 20
71 5GP7 SER LEU SER ARG THR PRO ALA ASP GLY ARG 20.7101
Pocket No.: 2; Query (leader) PDB : 5UIJ; Ligand: TYD; Similar sites found with APoc: 37
This union binding pocket(no: 2) in the query (biounit: 5uij.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4E5N NAD 1.21212
2 4Y30 SAH 1.4245
3 2RGH FAD 1.48148
4 3O55 FAD 1.6
5 5DX8 SFG 1.7192
6 3BEJ MUF 2.10084
7 1ZH8 NAP 2.64706
8 4UCI GTP 2.71605
9 5Z21 NAI 2.7933
10 5NFB 8VT 2.84091
11 2NAD NAD 2.96296
12 4DHY S41 2.96296
13 5EK3 5PK 2.97767
14 4LSJ LSJ 3.87597
15 4EIP FAD 3.95062
16 2A3I C0R 3.95257
17 4ZGS NAD 4.66321
18 5NTW 98N 4.66926
19 5NII FAD 4.85437
20 5X68 FAD 4.85933
21 3K87 FAD 5.40541
22 3AMN CBK 5.66038
23 3AMN CBI 5.66038
24 4O8A FAD 5.67901
25 3MBG FAD 5.7554
26 4K5S FAD 5.92593
27 5Z6T NAP 6.70554
28 5ECP ATP 7.16049
29 5ECP MET 7.16049
30 5ECP JAA 7.16049
31 5MW4 5JU 7.48503
32 1DJN ADP 8.64198
33 4WGF HX2 10.7317
34 2Y7P SAL 11.9266
35 3AD8 NAD 17.284
36 1O94 ADP 19.375
37 3FAL LO2 20.3008
Pocket No.: 3; Query (leader) PDB : 5UIJ; Ligand: TYD; Similar sites found with APoc: 37
This union binding pocket(no: 3) in the query (biounit: 5uij.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
1 4G86 BNT 1.76056
2 5GLN XYP XYP XYP 2.03488
3 3KN5 ANP 2.15385
4 2HIM ASN 2.23464
5 2Z9I GLY ALA THR VAL 2.46914
6 1IH7 GMP 3.20988
7 1DZT TPE 3.27869
8 3O5N BR0 3.57143
9 1WOG 16D 3.93443
10 3AB4 THR 4.19753
11 5AYC BGC BMA 5.18135
12 1Z08 GNP 5.88235
13 5X2N ALA 6.66667
14 5FJJ MAN 6.91358
15 2UYP PPI 6.97674
16 3BP1 GUN 8.62069
17 3B7G ANP 8.69565
18 1ZC3 GNP 9.71429
19 5NC1 NAG 10.1266
20 4M6T SAM 10.3825
21 3W9F I3P 14.6154
22 1ZD9 GDP 14.8936
23 5A96 GTP 15.6627
24 1RC0 KT5 16.2679
25 4YDX TCE 16.4179
26 2CFI ZZZ 18.541
27 1GAR U89 21.2264
28 3DCJ THH 25.1163
29 2BLN FON 28.1967
30 2BLN U5P 28.1967
31 5VYQ FON 28.6275
32 5VYQ 0FX 28.6275
33 4TTS 6DD 29.2453
34 4YFY 1YJ 29.5276
35 4YFY 0FX 29.5276
36 5VYR B62 31.0345
37 5VYR GMP 31.0345
Pocket No.: 4; Query (leader) PDB : 5UIJ; Ligand: TYD; Similar sites found with APoc: 24
This union binding pocket(no: 4) in the query (biounit: 5uij.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 4B2D SER 1.7284
2 4LHD GLY 1.97531
3 2WDA L42 1.97531
4 1K7T NAG GAL 2.68817
5 3IO3 ADP 2.71605
6 2UVO NDG 2.92398
7 2UVO NAG 2.92398
8 3R4S SIA 2.96296
9 1PVS 7HP 3.5461
10 5H4S RAM 3.7037
11 2G30 ALA ALA PHE 3.87597
12 1FQK ALF 4.08163
13 5VLQ ANP 4.44444
14 4OJP MAL 5.18518
15 5TQZ GLC 5.33333
16 1UI0 URA 5.36585
17 4RSZ CPT 6.73077
18 2UYN 2KT 6.97674
19 5L2R MLA 7.65432
20 2WDQ TEO 7.82609
21 1EU1 GLC 7.90123
22 4JLS 3ZE 8.55263
23 2H88 TEO 9.28571
24 2G50 ALA 9.62963
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