Receptor
PDB id Resolution Class Description Source Keywords
2XXP 1.69 Å NON-ENZYME: OTHER A WIDESPREAD FAMILY OF BACTERIAL CELL WALL ASSEMBLY PROTEINS STREPTOCOCCUS PNEUMONIAE REPLICATION PEPTIDOGLYCAN LCP LYTR
Ref.: A WIDESPREAD FAMILY OF BACTERIAL CELL WALL ASSEMBLY PROTEINS. EMBO J. V. 30 4931 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DSL A:1485;
Valid;
none;
submit data
779.165 C50 H83 O4 P CC(=C...
PEG A:1486;
A:1487;
Invalid;
Invalid;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XXP 1.69 Å NON-ENZYME: OTHER A WIDESPREAD FAMILY OF BACTERIAL CELL WALL ASSEMBLY PROTEINS STREPTOCOCCUS PNEUMONIAE REPLICATION PEPTIDOGLYCAN LCP LYTR
Ref.: A WIDESPREAD FAMILY OF BACTERIAL CELL WALL ASSEMBLY PROTEINS. EMBO J. V. 30 4931 2011
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3TEL - ZTP C40 H68 O7 P2 CC(=CCC/C(....
2 4DE8 - 0K3 C40 H67 O4 P CC(=CCC/C(....
3 2XXP - DSL C50 H83 O4 P CC(=CCC/C(....
4 3TFL - ZTP C40 H68 O7 P2 CC(=CCC/C(....
5 2XXQ - ZTP C40 H68 O7 P2 CC(=CCC/C(....
6 3TEP - ZTP C40 H68 O7 P2 CC(=CCC/C(....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3TEL - ZTP C40 H68 O7 P2 CC(=CCC/C(....
2 4DE8 - 0K3 C40 H67 O4 P CC(=CCC/C(....
3 2XXP - DSL C50 H83 O4 P CC(=CCC/C(....
4 3TFL - ZTP C40 H68 O7 P2 CC(=CCC/C(....
5 2XXQ - ZTP C40 H68 O7 P2 CC(=CCC/C(....
6 3TEP - ZTP C40 H68 O7 P2 CC(=CCC/C(....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3TEL - ZTP C40 H68 O7 P2 CC(=CCC/C(....
2 4DE8 - 0K3 C40 H67 O4 P CC(=CCC/C(....
3 2XXP - DSL C50 H83 O4 P CC(=CCC/C(....
4 3TFL - ZTP C40 H68 O7 P2 CC(=CCC/C(....
5 2XXQ - ZTP C40 H68 O7 P2 CC(=CCC/C(....
6 3TEP - ZTP C40 H68 O7 P2 CC(=CCC/C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DSL; Similar ligands found: 26
No: Ligand ECFP6 Tc MDL keys Tc
1 FJP 1 0.972973
2 DSL 1 1
3 0K3 1 1
4 FPP 0.744681 0.9
5 ZTP 0.744681 0.925
6 OTP 0.744681 0.925
7 VTP 0.744681 0.925
8 GRG 0.744681 0.9
9 GPP 0.659574 0.875
10 FPQ 0.648148 0.782609
11 FII 0.553571 0.603448
12 FHP 0.55102 0.8
13 GGS 0.54717 0.790698
14 FPS 0.54717 0.790698
15 FFF 0.54386 0.837209
16 FDF 0.526316 0.813953
17 4LR 0.525 0.810811
18 FGG 0.508475 0.837209
19 749 0.5 0.8
20 2CF 0.491525 0.837209
21 FPF 0.491525 0.837209
22 MGM 0.483871 0.692308
23 3E9 0.47541 0.857143
24 GST 0.471698 0.767442
25 PS7 0.410959 0.818182
26 A4S 0.4 0.62963
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XXP; Ligand: DSL; Similar sites found: 89
This union binding pocket(no: 1) in the query (biounit: 2xxp.bio1) has 65 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WG0 CHD 0.03354 0.43991 None
2 3G5K BB2 0.04724 0.41243 1.0929
3 3WY2 BGC 0.03981 0.40779 1.50754
4 5I96 69Q 0.01879 0.40191 1.50754
5 3E3U NVC 0.02024 0.43204 1.52284
6 3B6R ADP 0.02335 0.42547 1.5748
7 3WV6 GAL BGC 0.00269 0.49668 1.68919
8 3WV6 GAL GLC 0.007771 0.45223 1.68919
9 5UN9 NHT 0.04592 0.41622 1.75879
10 2WA4 069 0.02161 0.43401 2.00573
11 2C04 GCP 0.02441 0.42139 2.0202
12 4DK7 0KS 0.04419 0.4055 2.02429
13 4ZU4 4TG 0.01808 0.42497 2.02703
14 2WKQ FMN 0.02079 0.42194 2.26131
15 4I67 G G G RPC 0.02236 0.4369 2.29885
16 5DXE EST 0.02929 0.42351 2.29885
17 3W54 RNB 0.04011 0.41623 2.43161
18 3SQP 3J8 0.01035 0.46967 2.51256
19 1RL4 BL5 0.02713 0.44606 2.65957
20 4ITH RCM 0.01058 0.43043 2.72109
21 5JOG 6LT 0.035 0.42611 2.72374
22 1J78 VDY 0.02663 0.43653 2.76382
23 4UA3 COA 0.01361 0.42809 2.76382
24 3RY9 1CA 0.038 0.41155 2.8
25 5F7J ADE 0.008251 0.47125 2.8125
26 4TS1 TYR 0.03991 0.4304 2.82132
27 5G5W R8C 0.003407 0.43888 2.85714
28 5UWA 8ND 0.01739 0.40335 2.95567
29 3B9Q MLI 0.0094 0.46799 2.98013
30 4P6W MOF 0.03296 0.40423 3.1746
31 1NW4 IMH 0.0312 0.43263 3.26087
32 1TV5 N8E 0.009917 0.4654 3.26633
33 4KBA 1QM 0.008317 0.46502 3.26633
34 4P7X YCP 0.04861 0.40605 3.42466
35 2GMH UQ5 0.01203 0.42495 3.76884
36 5FUI APY 0.02007 0.44863 3.78788
37 3NZ1 3NY 0.0237 0.44204 3.83142
38 5H9Q TD2 0.01784 0.45568 3.87097
39 3B1M KRC 0.006484 0.44062 3.88693
40 5IXK 6EW 0.00669 0.41651 4.0201
41 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.01149 0.40677 4.0404
42 5TWO 7MV 0.006513 0.44369 4.04412
43 4UDB CV7 0.01144 0.42066 4.41176
44 2NPA MMB 0.0219 0.41526 4.44444
45 5UNJ RJW 0.03566 0.41589 4.4898
46 1QY1 PRZ 0.01903 0.4182 4.5977
47 5HCV 60R 0.02004 0.41197 4.66926
48 5MX4 HPA 0.006332 0.47595 4.72103
49 3TDC 0EU 0.00003452 0.66504 4.77387
50 4U9W COA 0.02979 0.40166 4.83092
51 1QY8 RDI 0.02565 0.42336 5.20446
52 5JF2 SF7 0.02596 0.41712 5.39216
53 1EPB REA 0.0035 0.46803 5.4878
54 5LX9 OLB 0.04058 0.41596 5.52764
55 5IFK HPA 0.0463 0.42397 5.76923
56 4NSQ COA 0.03091 0.41615 5.78947
57 5H2U 1N1 0.005579 0.45388 5.99251
58 4WOE ADP 0.02776 0.40306 6.03015
59 5K53 STE 0.0308 0.4107 6.10687
60 1U3R 338 0.01702 0.42935 6.22407
61 4WVW SLT 0.007175 0.46187 6.25
62 2YJD YJD 0.03116 0.41895 6.25
63 1DZK PRZ 0.01817 0.43113 6.36943
64 5OO5 UUA 0.04639 0.4099 6.45161
65 5A8E XTK 0.01674 0.41561 7.93651
66 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 0.02948 0.40186 7.97872
67 1AUA BOG 0.03446 0.43411 8.10811
68 3K3K A8S 0.02209 0.41779 8.53081
69 5U75 SIA GAL NDG FUC 0.04018 0.43016 8.92857
70 2B96 ANN 0.01867 0.4186 8.94309
71 4OJ8 AKG 0.02339 0.41657 9.55631
72 5XLY C2E 0.02913 0.41747 9.77444
73 5OCA 9QZ 0.00006998 0.60891 10.1382
74 1FK5 OLA 0.02517 0.40981 10.7527
75 1NF8 BOG 0.002155 0.50909 11.1111
76 2YMZ LAT 0.00898 0.47557 12.3077
77 5DG2 GAL GLC 0.013 0.4474 13.3333
78 4WUJ FMN 0.03555 0.41027 13.6054
79 4CSV STI 0.03585 0.4025 13.8182
80 5FVJ ACO 0.01975 0.40525 13.8554
81 5LWY OLB 0.02568 0.42656 14.0187
82 5D48 L96 0.0217 0.40566 14.4737
83 4IPH 1FJ 0.02353 0.40636 14.6341
84 3ZJX BOG 0.0357 0.43375 14.8789
85 4B4Q A2G GAL NAG FUC GAL GLC 0.004058 0.48769 15.2318
86 2XG5 EC5 0.008835 0.46009 16.9725
87 2XG5 EC2 0.008835 0.46009 16.9725
88 1RDT 570 0.003444 0.44435 34.7826
89 4DE9 VTP 0.0000000003181 0.46185 45.8042
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