Receptor
PDB id Resolution Class Description Source Keywords
1SQS 1.5 Å NON-ENZYME: OTHER X-RAY CRYSTAL STRUCTURE PROTEIN SP1951 OF STREPTOCOCCUS PNEU NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SPR27. STREPTOCOCCUS PNEUMONIAE STRUCTURAL GENOMICS ALPHA BETA PROTEIN PSI PROTEIN STRUCTINITIATIVE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM NESGFUNCTION
Ref.: FUNCTIONAL INSIGHTS FROM STRUCTURAL GENOMICS. J.STRUCT.FUNCT.GENOM V. 8 37 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TLA A:601;
Valid;
none;
submit data
150.087 C4 H6 O6 [C@@H...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SQS 1.5 Å NON-ENZYME: OTHER X-RAY CRYSTAL STRUCTURE PROTEIN SP1951 OF STREPTOCOCCUS PNEU NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SPR27. STREPTOCOCCUS PNEUMONIAE STRUCTURAL GENOMICS ALPHA BETA PROTEIN PSI PROTEIN STRUCTINITIATIVE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM NESGFUNCTION
Ref.: FUNCTIONAL INSIGHTS FROM STRUCTURAL GENOMICS. J.STRUCT.FUNCT.GENOM V. 8 37 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 1SQS - TLA C4 H6 O6 [C@@H]([C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 1SQS - TLA C4 H6 O6 [C@@H]([C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 1SQS - TLA C4 H6 O6 [C@@H]([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TLA; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 SRT 1 1
2 TLA 1 1
3 TAR 1 1
4 RAT 0.588235 1
5 GAE 0.588235 1
6 LGT 0.588235 1
7 LAC 0.5 0.611111
8 2OP 0.5 0.611111
9 IPM 0.47619 0.8
10 LFC 0.434783 0.777778
11 ICT 0.416667 0.727273
12 DXX 0.411765 0.777778
13 MAK 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SQS; Ligand: TLA; Similar sites found: 78
This union binding pocket(no: 1) in the query (biounit: 1sqs.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ZEI CRS 0.008417 0.41466 None
2 2ED4 FAD 0.02978 0.40952 None
3 4H4D 10E 0.009422 0.41461 1.23967
4 2GLX NDP 0.03298 0.40464 1.65289
5 2AEB ABH 0.003531 0.44819 2.06612
6 3S2Y FMN 0.004605 0.43513 2.06612
7 1CTU ZEB 0.008152 0.42753 2.06612
8 2Y6Q FAD 0.03525 0.41323 2.47934
9 4AUT FAD 0.04661 0.401 2.47934
10 1YZX GSF 0.007587 0.43453 2.89256
11 4N9I PCG 0.02012 0.42981 2.89256
12 4WAS COO 0.02557 0.42592 2.89256
13 4WAS NAP 0.03318 0.41852 2.89256
14 4LTN NAI 0.0002245 0.50969 3.04569
15 4LTN FMN 0.0001884 0.50969 3.04569
16 2JFN GLU 0.0002441 0.49515 3.15789
17 1REO FAD 0.006655 0.45832 3.30579
18 1KOJ PAN 0.004701 0.44678 3.30579
19 5I0H ADP BEF 0.006355 0.44312 3.30579
20 2XOC ADE 0.001217 0.43588 3.30579
21 1QRP HH0 0.01132 0.42688 3.30579
22 4L8V NAP 0.04027 0.40667 3.30579
23 1KPH SAH 0.02113 0.40548 3.30579
24 2CXS F6P 0.007053 0.43751 3.71901
25 2IVF MGD 0.02022 0.42719 3.71901
26 4I06 X8A 0.008273 0.42053 3.71901
27 1DL5 SAH 0.02162 0.41364 3.71901
28 4D42 W0I 0.01881 0.44042 4.13223
29 4D42 NAP 0.01881 0.44042 4.13223
30 3ZFD ANP 0.009742 0.42665 4.13223
31 1H82 FAD 0.04927 0.42354 4.13223
32 3FUU ADN 0.02042 0.40077 4.13223
33 2BOI MFU 0.01629 0.40033 4.42478
34 4C3Y ANB 0.01748 0.44338 4.54545
35 2ZJ3 G6P 0.007384 0.42353 4.54545
36 3H7U NAP 0.02718 0.40987 4.54545
37 3QWI CUE 0.04437 0.40773 4.54545
38 2HNK SAH 0.02143 0.40617 4.60251
39 3SSO SAH 0.02611 0.40353 4.95868
40 3N5O GSH 0.02111 0.40328 5.10638
41 3WLE NAD 0.04362 0.4104 5.3719
42 1Z82 G3H 0.002252 0.40428 5.3719
43 1Z82 G3P 0.002425 0.40296 5.3719
44 3L2B B4P 0.04104 0.40118 5.3719
45 4ORM FMN 0.04309 0.42503 5.78512
46 4ORM ORO 0.04309 0.42503 5.78512
47 4ORM 2V6 0.04309 0.42503 5.78512
48 3TN7 NJP 0.04074 0.40581 5.78512
49 2CDC XYP 0.04999 0.42563 6.19835
50 1RJD SAM 0.01749 0.40976 6.19835
51 2Q8M AMP 0.0191 0.406 6.19835
52 1CZI PRO PHI SMC NOR 0.005669 0.44295 7.02479
53 4PNE SAH 0.009537 0.43128 7.02479
54 3JSX FAD 0.008535 0.42413 7.02479
55 3JSX CC2 0.04923 0.41599 7.02479
56 2PZM NAD 0.03341 0.42298 7.27273
57 2PZM UDP 0.03341 0.42298 7.27273
58 2GAG FOA 0.04408 0.40791 7.43802
59 4W6Z 8ID 0.007951 0.44771 7.4928
60 1Z4O GL1 0.01654 0.41143 7.69231
61 4JGP PYR 0.004758 0.42758 7.8341
62 1RM4 NDP 0.02155 0.42462 7.85124
63 2EV9 NAP 0.0249 0.40954 8.67769
64 1RSG FAD 0.04879 0.40548 8.67769
65 1TPY SAH 0.02147 0.40523 8.67769
66 1VGR COA 0.03365 0.40364 8.67769
67 3RLF ANP 0.02589 0.40204 9.50413
68 4C0X AQN 0.0005469 0.51077 10.3448
69 4C0X FMN 0.0004258 0.51077 10.3448
70 3RNM FAD 0.0434 0.41251 10.3448
71 2GZM DGL 0.002935 0.44549 11.157
72 3QKT ANP 0.02424 0.40252 11.5702
73 1V8B NAD 0.049 0.40447 12.8099
74 4N65 AQN 0.001155 0.48424 14.6226
75 4N65 FMN 0.001567 0.48346 14.6226
76 1T5B FMN 0.001607 0.46003 18.408
77 2FZH DH1 0.02678 0.42912 18.4466
78 2Z9C FMN 0.0004229 0.50202 18.5
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