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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 1443 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 1205 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 1039 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 TAR 1 1
2 TLA 1 1
3 SRT 1 1
4 RAT 0.588235 1
5 LGT 0.588235 1
6 GAE 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 with APoc: 187
This union binding pocket(no: 1) in the query (biounit: 1sqs.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3KV8 FAH None
2 1ZEI CRS None
3 2ED4 FAD None
4 4BJ8 BTN None
5 1VL8 NAP 0.826446
6 4H4D 10E 1.23967
7 1IYB 5GP 1.44231
8 4O0L NDP 1.65289
9 1LLU NAD 1.65289
10 1O0S NAI 1.65289
11 2GLX NDP 1.65289
12 4C25 13P 1.88679
13 2FR6 URI 2.05479
14 2FR6 CTN 2.05479
15 2AEB ABH 2.06612
16 3S2Y FMN 2.06612
17 1CTU ZEB 2.06612
18 3C1O NAP 2.06612
19 1H5Q NAP 2.06612
20 1GZ4 ATP 2.06612
21 3G5S FAD 2.47934
22 2Q1W NAD 2.47934
23 2Y6Q FAD 2.47934
24 5Y77 FAD 2.47934
25 1X9I G6Q 2.47934
26 1KPG SAH 2.47934
27 5YJF 8WO 2.47934
28 4IV9 FAD 2.47934
29 5YJF SAH 2.47934
30 4AUT FAD 2.47934
31 4U8P UDP 2.47934
32 4UHF BUA 2.47934
33 2ZGY GDP 2.5
34 1DCP HBI 2.88462
35 1YZX GSF 2.89256
36 1WKR IVA VAL VAL STA ALA STA 2.89256
37 4N9I PCG 2.89256
38 3I6I NDP 2.89256
39 4WAS NAP 2.89256
40 4WAS COO 2.89256
41 4BVA T3 2.89256
42 2B4Q NAP 2.89256
43 4LTN NAI 3.04569
44 4LTN FMN 3.04569
45 5LU5 M7P 3.04569
46 5NMX NAP 3.05882
47 5NMX FAD 3.05882
48 2JFN GLU 3.15789
49 5TS5 FAD 3.30579
50 2IID FAD 3.30579
51 2IID PHE 3.30579
52 1REO FAD 3.30579
53 2XOC ADE 3.30579
54 4ZG4 VO4 ADP 3.30579
55 1KOJ PAN 3.30579
56 5I0H ADP BEF 3.30579
57 1QRP HH0 3.30579
58 1YKJ FAD 3.30579
59 1UM0 FMN 3.30579
60 4L8V NAP 3.30579
61 1KPH SAH 3.30579
62 5T9E NAP 3.30579
63 1UAY ADN 3.30579
64 1IG3 VIB 3.30579
65 4IPE ANP 3.30579
66 2IMF GSH 3.44828
67 2IMF TOM 3.44828
68 2CXS F6P 3.71901
69 2IVF MGD 3.71901
70 4I06 X8A 3.71901
71 5CGE 51F 3.71901
72 1DL5 SAH 3.71901
73 3A4V PYR 3.71901
74 3A4V NAD 3.71901
75 1Z45 NAD 3.71901
76 1P72 ADP 3.71901
77 5TTJ FAD 3.71901
78 1GTE FMN 3.71901
79 1GTE IUR 3.71901
80 3VZ3 SSN 3.71901
81 1P77 ATR 3.71901
82 4EIL NDP 3.71901
83 4D42 W0I 4.13223
84 4D42 NAP 4.13223
85 3ZFD ANP 4.13223
86 1J3I NDP 4.13223
87 1J3I WRA 4.13223
88 1H82 FAD 4.13223
89 1YKF NAP 4.13223
90 3B1F NAD 4.13223
91 3FUU ADN 4.13223
92 1TZJ A3B 4.14201
93 4Z4P SAH 4.21687
94 2BOI MFU 4.42478
95 4C3Y ANB 4.54545
96 4C3Y FAD 4.54545
97 5LQ8 GB 4.54545
98 2ZJ3 G6P 4.54545
99 3DRG ARG PRO PRO GLY PHE SER PRO PHE ALA 4.54545
100 1XG5 NAP 4.54545
101 5Y6Q MCN 4.54545
102 3H7U NAP 4.54545
103 6GEH FAD 4.54545
104 5FTW SAH 4.54545
105 3QWI CUE 4.54545
106 4AG8 AXI 4.54545
107 6FDF SAH 4.54545
108 3QWI NAP 4.54545
109 2HNK SAH 4.60251
110 3OJF IMJ 4.95868
111 3OJF NDP 4.95868
112 1KEV NDP 4.95868
113 3WDM ADN 4.95868
114 3MB5 SAM 4.95868
115 3SSO SAH 4.95868
116 3N5O GSH 5.10638
117 5OOH 9ZZ 5.33981
118 5OOH NAP 5.33981
119 1Z82 G3H 5.3719
120 1Z82 G3P 5.3719
121 3WLE NAD 5.3719
122 3L2B B4P 5.3719
123 5YFT RI2 5.55556
124 5XKR BZE 5.66038
125 1VQ2 DDN 5.69948
126 1LVK MNT BEF 5.78512
127 4ORM FMN 5.78512
128 4ORM ORO 5.78512
129 4ORM 2V6 5.78512
130 4GID 0GH 5.78512
131 3TN7 NJP 5.78512
132 6H1U ASP 5.92335
133 2VB6 ADP BEF 6.04027
134 2CDC XYP 6.19835
135 1RJD SAM 6.19835
136 2CDC NAP 6.19835
137 2Q8M AMP 6.19835
138 2HVW DDN 6.52174
139 1KK8 BEF ADP 6.61157
140 1QS8 IVA VAL VAL STA ALA STA 6.61157
141 1CZI PRO PHI SMC NOR 7.02479
142 4PNE SAH 7.02479
143 3JSX FAD 7.02479
144 3JSX CC2 7.02479
145 4A59 AMP 7.02479
146 2PZM NAD 7.27273
147 2PZM UDP 7.27273
148 1W7J ADP BEF 7.28477
149 3K7M FAD 7.43802
150 2GAG FOA 7.43802
151 4W6Z 8ID 7.4928
152 1Z4O GL1 7.69231
153 4JGP PYR 7.8341
154 2O2C G6Q 7.85124
155 1RM4 NDP 7.85124
156 1OZH HE3 7.85124
157 2EV9 SKM 8.67769
158 2EV9 NAP 8.67769
159 1RSG FAD 8.67769
160 1TPY SAH 8.67769
161 1VGR COA 8.67769
162 4LHD GLY 9.50413
163 2POC BG6 9.50413
164 3RLF ANP 9.50413
165 3X0V FAD 10.3306
166 4C0X AQN 10.3448
167 4C0X FMN 10.3448
168 3RNM FAD 10.3448
169 2GZM DGL 11.157
170 3OZ2 FAD 11.157
171 5OCM NAP 11.157
172 3QKT ANP 11.5702
173 1MH1 GNP 11.828
174 4AMV F6R 12.3967
175 5FA5 MTA 12.3967
176 4ZCC FAD 12.8099
177 1V8B NAD 12.8099
178 5YW5 ADE 12.8492
179 4N65 AQN 14.6226
180 4N65 FMN 14.6226
181 6EMU SAM 16.7513
182 1T5B FMN 18.408
183 2FZH DH1 18.4466
184 2Z9C DTC 18.5
185 2Z9C FMN 18.5
186 4PTZ FMN 23.0366
187 3GFS FMN 29.8851
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