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Receptor
PDB id Resolution Class Description Source Keywords
3TFC 1.95 Å NON-ENZYME: OTHER 1.95 ANGSTROM CRYSTAL STRUCTURE OF A BIFUNCTIONAL 3-DEOXY-7- PHOSPHOHEPTULONATE SYNTHASE/CHORISMATE MUTASE (AROA) FROM LM ONOCYTOGENES EGD-E IN COMPLEX WITH PHOSPHOENOLPYRUVATE LISTERIA MONOCYTOGENES STRUCTURAL GENOMICS CENTER FOR STRUCTURAL GENOMICS OF INFECDISEASES CSGID (BETA/ALPHA) BARREL TIM BARREL TRANSFERAISOMERASE COMPLEX
Ref.: STRUCTURAL ANALYSIS OF A 3-DEOXY-D-ARABINO-HEPTULOS 7-PHOSPHATE SYNTHASE WITH AN N-TERMINAL CHORISMATE MUTASE-LIKE REGULATORY DOMAIN. PROTEIN SCI. V. 21 887 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:363;
B:363;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
MN A:362;
B:362;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
PEP A:1268;
B:1269;
Valid;
Valid;
none;
none;
submit data
168.042 C3 H5 O6 P C=C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TFC 1.95 Å NON-ENZYME: OTHER 1.95 ANGSTROM CRYSTAL STRUCTURE OF A BIFUNCTIONAL 3-DEOXY-7- PHOSPHOHEPTULONATE SYNTHASE/CHORISMATE MUTASE (AROA) FROM LM ONOCYTOGENES EGD-E IN COMPLEX WITH PHOSPHOENOLPYRUVATE LISTERIA MONOCYTOGENES STRUCTURAL GENOMICS CENTER FOR STRUCTURAL GENOMICS OF INFECDISEASES CSGID (BETA/ALPHA) BARREL TIM BARREL TRANSFERAISOMERASE COMPLEX
Ref.: STRUCTURAL ANALYSIS OF A 3-DEOXY-D-ARABINO-HEPTULOS 7-PHOSPHATE SYNTHASE WITH AN N-TERMINAL CHORISMATE MUTASE-LIKE REGULATORY DOMAIN. PROTEIN SCI. V. 21 887 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3TFC - PEP C3 H5 O6 P C=C(C(=O)O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3TFC - PEP C3 H5 O6 P C=C(C(=O)O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3TFC - PEP C3 H5 O6 P C=C(C(=O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PEP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PEP 1 1
2 UVW 0.44 0.709677
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TFC; Ligand: PEP; Similar sites found with APoc: 83
This union binding pocket(no: 1) in the query (biounit: 3tfc.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3ATY FMN 1.31926
2 3O0Q TTP 1.81818
3 4A3U FMN 1.95531
4 5UXM PEP 2.33766
5 2OEM 1AE 2.33766
6 3C2O NTM 2.38095
7 1AJ0 SAN 2.48227
8 1AJ0 PH2 2.48227
9 2G50 PYR 2.5974
10 4S3F 43W 2.5974
11 1Z41 FMN 2.66272
12 1Z48 FMN 2.66272
13 1Z44 FMN 2.66272
14 5XGX DAS DLY 2.85714
15 2GQR ADP 2.95359
16 3O03 GCO 3.09278
17 1RQ5 CTT 3.11688
18 3UMV FAD 3.11688
19 4XQM MAN 3.19149
20 4DI8 0GY 3.63036
21 4DI8 0GZ 3.63036
22 5X2Z 3LM 3.63636
23 2CJF RP4 3.82166
24 2J4K U5P 3.9823
25 4I8P NAD 4.15584
26 5IE3 AMP 4.15584
27 5IE3 OXD 4.15584
28 1PVN MZP 4.25532
29 3GUZ PAF 4.54545
30 1BZL FAD 4.67532
31 6DVH FMN 4.67532
32 2BJK NAD 4.67532
33 2XB8 XNW 4.79452
34 5OCS FMN 5.12129
35 3DG6 MUC 5.17711
36 1PS9 FMN 5.71429
37 6FA4 GNP 6.35838
38 4B1M FRU FRU 6.48649
39 2TPL HPP 6.49351
40 2WQP WQP 6.59026
41 6GN6 GLC 6.75325
42 2PT9 S4M 6.85358
43 4I9A NCN 6.94444
44 1X7D NAD 7.14286
45 4M1U A2G MBG 7.14286
46 3KRU FMN 7.28863
47 2Q3R FMN 7.52688
48 2H8Z FMN 8.05195
49 2H8Z 8CM 8.05195
50 1U7Z PMT 8.40708
51 1XKD ICT 8.73563
52 5APK 76E 9.81132
53 4N65 FMN 9.90566
54 3H22 B53 10.4377
55 5DIF GNP 10.4895
56 5UWJ GNP 10.4895
57 5DHF GNP 10.4895
58 5UWT GNP 10.4895
59 5DI9 GNP 10.4895
60 5UWW GNP 10.4895
61 5UWI GNP 10.4895
62 5UWP GNP 10.4895
63 5UWO GNP 10.4895
64 5UWR GNP 10.4895
65 6CIT GNP 10.4895
66 3M1I GTP 10.5023
67 1DJN FMN 10.6494
68 1ERB ETR 10.929
69 3JDW ORN 12.2078
70 4HAT GNP 13.4259
71 1IBR GNP 13.4259
72 1WA5 GTP 16.4773
73 5FBN 5WF 21.0332
74 5NI5 8YB 26.6667
75 4UMA GZ3 27.3504
76 5CKS 52L 27.3504
77 1OF8 PEP 28.8312
78 1OF8 G3P 28.8312
79 1G7V PAI 44.3662
80 4Z1D PEP 44.9275
81 3FYP PEP 46.0714
82 2NX1 PEP 46.4419
83 2NX1 RP5 46.4419
Pocket No.: 2; Query (leader) PDB : 3TFC; Ligand: PEP; 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: 3tfc.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3TFC; Ligand: PEP; Similar sites found with APoc: 37
This union binding pocket(no: 3) in the query (biounit: 3tfc.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1QPR PPC 1.05634
2 2I6A 5I5 2.6087
3 4AT3 LTI 2.67559
4 5X8Q 82R 2.71318
5 5NTW 98N 2.72374
6 3T7V MD0 3.42857
7 4E93 GUI 3.71353
8 2E7Z MGD 4.15584
9 1P4A PCP 4.21053
10 2Q8Z NUP 4.38596
11 1OW4 2AN 4.65116
12 1LRW PQQ 4.81928
13 3CIF G3H 4.93506
14 1KQP ADJ 5.16605
15 4CQM NAP 6.13027
16 5U6C 7YS 6.23377
17 2GTE VA 6.45161
18 3VNM SDD 6.82594
19 4M8E 29V 6.92641
20 5EOU ATP 7.25806
21 4B1L FRU 7.27273
22 1IIU RTL 7.47126
23 1ZB6 GST 7.81759
24 1ZB6 DIN 7.81759
25 5YJF 8WO 8.80282
26 5YJF SAH 8.80282
27 4M5P FMN 9.09091
28 1NWW HPN 10.0671
29 5UWH GNP 10.4895
30 5UWQ GNP 10.4895
31 3BEJ MUF 10.5042
32 2HK1 FUD 11.4286
33 4D1J DGJ 12.2078
34 5ODT ADP 13.0435
35 5EYK 5U5 13.5593
36 4RF2 NAP 13.9706
37 1MJH ATP 17.284
Pocket No.: 4; Query (leader) PDB : 3TFC; Ligand: PEP; 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: 3tfc.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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