Receptor
PDB id Resolution Class Description Source Keywords
3M89 2 Å NON-ENZYME: OTHER STRUCTURE OF TUBZ-GTP-G-S BACILLUS THURINGIENSIS PARTITION TUBULIN FTSZ TUBZ GTP-BINDING NUCLEOTIDE-BINDSTRUCTURAL PROTEIN
Ref.: FROM THE COVER: PLASMID PROTEIN TUBR USES A DISTINC HTH-DNA BINDING AND RECRUITS THE PROKARYOTIC TUBULI TUBZ TO EFFECT DNA PARTITION. PROC.NATL.ACAD.SCI.USA V. 107 11763 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GSP A:408;
Valid;
none;
Kd = 0.69 uM
539.246 C10 H16 N5 O13 P3 S c1nc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3M89 2 Å NON-ENZYME: OTHER STRUCTURE OF TUBZ-GTP-G-S BACILLUS THURINGIENSIS PARTITION TUBULIN FTSZ TUBZ GTP-BINDING NUCLEOTIDE-BINDSTRUCTURAL PROTEIN
Ref.: FROM THE COVER: PLASMID PROTEIN TUBR USES A DISTINC HTH-DNA BINDING AND RECRUITS THE PROKARYOTIC TUBULI TUBZ TO EFFECT DNA PARTITION. PROC.NATL.ACAD.SCI.USA V. 107 11763 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3M89 Kd = 0.69 uM GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
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 3M89 Kd = 0.69 uM GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
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 3M89 Kd = 0.69 uM GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GSP; Similar ligands found: 132
No: Ligand ECFP6 Tc MDL keys Tc
1 GSP 1 1
2 GP3 0.897436 0.925
3 GTP 0.853659 0.948718
4 GNH 0.829268 0.936709
5 GDP 0.817073 0.948718
6 G1R 0.8 0.936709
7 GCP 0.77907 0.925
8 GNP 0.770115 0.925
9 GMV 0.767442 0.925
10 5GP 0.756098 0.935897
11 G 0.756098 0.935897
12 G2R 0.747253 0.91358
13 GKE 0.744681 0.91358
14 GDD 0.744681 0.91358
15 GDC 0.744681 0.91358
16 GPG 0.73913 0.91358
17 GTG 0.736842 0.891566
18 G3A 0.729167 0.925
19 G5P 0.721649 0.925
20 GDR 0.71875 0.91358
21 GFB 0.71875 0.91358
22 GAV 0.714286 0.987179
23 GP2 0.712644 0.91358
24 6CK 0.71134 0.891566
25 Y9Z 0.708333 0.860465
26 JB2 0.69697 0.91358
27 GKD 0.69697 0.91358
28 GDP MG 0.696629 0.878049
29 G2P 0.692308 0.91358
30 GDX 0.69 0.925
31 GPD 0.69 0.880952
32 GDP BEF 0.688889 0.857143
33 GCP G 0.677419 0.888889
34 ALF 5GP 0.67033 0.847059
35 0O2 0.666667 0.935897
36 GTP MG 0.666667 0.878049
37 BEF GDP 0.666667 0.847059
38 YGP 0.663265 0.858824
39 JB3 0.657143 0.902439
40 GDP ALF 0.645833 0.847059
41 GDP AF3 0.645833 0.847059
42 G G 0.642857 0.888889
43 GMP 0.641975 0.835443
44 G3D 0.638298 0.935897
45 NGD 0.635514 0.91358
46 2MD 0.633027 0.894118
47 CAG 0.630631 0.840909
48 G4P 0.625 0.935897
49 U2G 0.62037 0.891566
50 FEG 0.62037 0.83908
51 MGD 0.616071 0.894118
52 ZGP 0.614679 0.872093
53 CG2 0.609091 0.891566
54 TPG 0.598291 0.804348
55 3GP 0.595506 0.898734
56 GDP 7MG 0.590476 0.86747
57 GH3 0.581633 0.924051
58 MD1 0.581197 0.894118
59 PGD 0.581197 0.926829
60 2GP 0.577778 0.911392
61 DGT 0.561224 0.878049
62 DBG 0.558333 0.902439
63 G1G 0.550847 0.880952
64 SAP 0.547368 0.924051
65 AGS 0.547368 0.924051
66 FE9 0.546219 0.8
67 G4M 0.539062 0.840909
68 U A G G 0.538462 0.888889
69 G A A A 0.529915 0.878049
70 MGP 0.525253 0.91358
71 GPX 0.524272 0.898734
72 BGO 0.521739 0.879518
73 DGI 0.520408 0.878049
74 6G0 0.52 0.91358
75 I2C FE2 CMO CMO 0.516667 0.774194
76 IDP 0.515464 0.923077
77 GGM 0.508475 0.858824
78 G1R G1R 0.508065 0.879518
79 PGD O 0.504 0.875
80 G G U 0.5 0.888889
81 GTA 0.486726 0.891566
82 P2G 0.484536 0.839506
83 GPC 0.483607 0.83908
84 G C 0.483333 0.857143
85 P1G 0.474747 0.829268
86 DG 0.474227 0.865854
87 DGP 0.474227 0.865854
88 BA3 0.46875 0.85
89 AP5 0.463918 0.85
90 B4P 0.463918 0.85
91 IMP 0.463918 0.910256
92 G2Q 0.462963 0.91358
93 G G G RPC 0.459016 0.833333
94 APC G U 0.456 0.843373
95 U G A 0.452555 0.847059
96 ATP 0.45 0.873418
97 G G G C 0.448819 0.869048
98 A2D 0.447917 0.85
99 5FA 0.445545 0.873418
100 AQP 0.445545 0.873418
101 A G C C 0.445312 0.86747
102 G7M 0.444444 0.901235
103 G U34 0.442623 0.847059
104 01G 0.442478 0.860465
105 ITT 0.44 0.825
106 SGP 0.44 0.876543
107 G C C C 0.431818 0.879518
108 AN2 0.43 0.8625
109 DG DG 0.428571 0.825581
110 A4P 0.42623 0.829545
111 UCG 0.424242 0.86747
112 C2E 0.423077 0.875
113 PCG 0.423077 0.886076
114 35G 0.423077 0.886076
115 MGO 0.420561 0.823529
116 ADP 0.42 0.873418
117 ANP 0.419048 0.851852
118 5GP 5GP 0.419048 0.839506
119 ADQ 0.418182 0.829268
120 APR 0.417476 0.85
121 AR6 0.417476 0.85
122 7DT 0.417476 0.860759
123 A G U 0.414286 0.847059
124 AD9 0.413462 0.851852
125 UP5 0.413223 0.831325
126 A22 0.412844 0.8625
127 25L 0.412281 0.8625
128 M33 0.411765 0.839506
129 JBT 0.410405 0.783505
130 ACP 0.407767 0.851852
131 ACQ 0.40566 0.851852
132 A1R 0.405405 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3M89; Ligand: GSP; Similar sites found: 161
This union binding pocket(no: 1) in the query (biounit: 3m89.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4PIV NDP 0.02799 0.40199 1.40515
2 9LDT NAD 0.006413 0.43386 1.50602
3 9LDB NAD 0.007629 0.43012 1.50602
4 2J5V PCA 0.02504 0.40087 1.63488
5 4Q4K FMN 0.009914 0.4178 1.68067
6 4GKV NAD 0.0175 0.41557 1.78571
7 1J0X NAD 0.02627 0.41508 1.80723
8 2RHO GDP 0.000000126 0.62777 1.84615
9 2RHO GSP 0.0000004828 0.62442 1.84615
10 1UWK URO 0.003154 0.4644 1.87354
11 1UWK NAD 0.003154 0.4644 1.87354
12 5JFL NAD 0.01147 0.41882 1.87354
13 2FR1 NDP 0.01612 0.41514 1.87354
14 4KP7 NAP 0.041 0.4081 1.87354
15 4KP7 1UQ 0.04416 0.40331 1.87354
16 1I8T FAD 0.03056 0.40819 1.90736
17 1ZK4 NAP 0.01892 0.41596 1.99203
18 2R75 01G 0.0000003146 0.6405 2.07101
19 1DXY NAD 0.01809 0.40643 2.1021
20 4DXD GDP 0.0000001753 0.49728 2.10773
21 1RM0 NAI 0.03005 0.41367 2.10773
22 1MUU NAD 0.01256 0.4128 2.10773
23 1MV8 NAD 0.01454 0.41109 2.10773
24 4E5N NAD 0.02961 0.40189 2.12121
25 1YKF NAP 0.0234 0.40471 2.27273
26 1YJQ NAP 0.02325 0.40828 2.31023
27 1D4D FAD 0.04024 0.40543 2.34192
28 5MW4 5JU 0.03842 0.40395 2.34192
29 3RJ5 NAD 0.0339 0.40496 2.3622
30 3H4V DVP 0.04367 0.40275 2.43056
31 1V35 NAI 0.04204 0.40278 2.43161
32 3HBN UDP 0.007224 0.41248 2.48227
33 2A92 NAI 0.021 0.40939 2.49221
34 1SB8 NAD 0.02487 0.41953 2.55682
35 1SB8 UD2 0.02828 0.41953 2.55682
36 1HYH NAD 0.01518 0.41527 2.589
37 4ZGS NAD 0.009975 0.41619 2.59067
38 5GT9 NAP 0.01389 0.41718 2.6616
39 2BGM NAJ 0.006288 0.42889 2.8777
40 2VHW NAI 0.03135 0.4048 2.91777
41 1OJ7 NZQ 0.03312 0.40157 2.94118
42 1F8F NAD 0.01412 0.41031 2.96496
43 3RFV 15L 0.01377 0.41225 2.99625
44 3RFV NAI 0.01521 0.41146 2.99625
45 5M67 NAD 0.01565 0.43082 3.0445
46 5M67 3D1 0.0157 0.43076 3.0445
47 5M67 ADE 0.01963 0.42568 3.0445
48 1ZEM NAD 0.01993 0.40437 3.05344
49 1RQ2 CIT 0.000003297 0.57944 3.14136
50 1TDF NAP 0.035 0.42428 3.16456
51 1TDF FAD 0.01959 0.42416 3.16456
52 1ORR NAD 0.007194 0.43381 3.17003
53 5KKA 6V0 0.01382 0.41848 3.20513
54 1GUZ NAD 0.01738 0.40989 3.22581
55 1GV0 NAD 0.0217 0.40634 3.22581
56 1XG5 NAP 0.0295 0.40085 3.22581
57 1NVM NAD 0.008616 0.42749 3.27869
58 1N1G BCP 0.03193 0.40339 3.27869
59 5MSO NAP 0.022 0.40225 3.27869
60 2Q4W FAD 0.03219 0.40219 3.27869
61 4PLG NAI 0.02538 0.41046 3.29341
62 1AE1 NAP 0.02366 0.40789 3.2967
63 2HJR APR 0.01671 0.40531 3.35366
64 1PL6 NAD 0.004553 0.42763 3.37079
65 1PL6 572 0.01041 0.42461 3.37079
66 1BXG NAD 0.01519 0.41015 3.37079
67 4D86 ADP 0.004985 0.42394 3.37349
68 1T26 NAI 0.03219 0.40965 3.41615
69 1LTH NAD 0.006673 0.42465 3.44828
70 1A5Z NAD 0.01632 0.40277 3.44828
71 1D1T NAD 0.008998 0.42777 3.48525
72 1P0F NAP 0.0146 0.41729 3.48525
73 1KOL NAD 0.01533 0.42059 3.51759
74 4L8V NAP 0.02808 0.40076 3.56083
75 2V3B FAD 0.03716 0.40198 3.63636
76 4KWI 1TJ 0.02569 0.41387 3.80228
77 4KWI NAP 0.02469 0.41387 3.80228
78 3WLE NAD 0.01519 0.4208 3.81232
79 3VPH OXM 0.01009 0.4287 3.87097
80 5ITV NAI 0.02579 0.40261 3.92157
81 1W5F G2P 0.0000005864 0.62275 3.96601
82 1R6D NAD 0.0225 0.42549 3.98126
83 1R6D DAU 0.02275 0.42453 3.98126
84 3CTY FAD 0.0413 0.40563 3.98126
85 5AYV NAP 0.003057 0.43939 4.20712
86 5AYV KPL 0.01334 0.42258 4.20712
87 5THQ NDP 0.01602 0.41289 4.41176
88 1H9A NAP 0.0154 0.41836 4.44965
89 3KB6 NAD 0.02209 0.40347 4.49102
90 3HVJ 705 0.02309 0.41256 4.52489
91 2DFV NAD 0.007632 0.42618 4.61095
92 5FA6 FAD 0.02637 0.43206 4.68384
93 5FA6 NAP 0.02696 0.43206 4.68384
94 2F5Z FAD 0.04713 0.40183 4.6875
95 2FZW NAD 0.0284 0.41332 4.82574
96 1KEV NDP 0.01572 0.41792 4.8433
97 3OND ADN 0.01963 0.42491 4.91803
98 3OND NAD 0.01963 0.42491 4.91803
99 2CDC XYS 0.04157 0.41746 4.91803
100 2CDC NAP 0.04157 0.41746 4.91803
101 2DC1 NAD 0.02505 0.40077 5.08475
102 5VFC 9BA 0.01818 0.40893 5.14469
103 1V8B NAD 0.02467 0.4101 5.15223
104 3LU1 NAD 0.02413 0.40404 5.21978
105 1H2B NAJ 0.01576 0.41676 5.29248
106 4JNE ATP 0.0205 0.401 5.38642
107 1UDB NAD 0.04353 0.40888 5.6213
108 1LDN NAD 0.02781 0.40213 5.6962
109 2EV9 NAP 0.01468 0.41717 5.70342
110 2Q1W NAD 0.01878 0.41181 5.70571
111 1OC2 NAD 0.03427 0.41713 5.74713
112 1BXK NAD 0.01305 0.41604 5.91549
113 3FG2 FAD 0.03235 0.40103 5.94059
114 3GGO ENO 0.04487 0.4013 6.05096
115 3GGO NAI 0.04487 0.4013 6.05096
116 4W6Z 8ID 0.01178 0.42637 6.05187
117 2O4C NAD 0.01906 0.41033 6.05263
118 4O1M NAD 0.0216 0.40644 6.08899
119 5JCA FAD 0.04527 0.40193 6.08899
120 1I0Z NAI 0.01513 0.41413 6.30631
121 4K28 NAD 0.004327 0.43531 6.3197
122 1R37 NAD 0.03163 0.40258 6.34006
123 1U3U BNF 0.01351 0.42915 6.41711
124 3VZS NAP 0.01654 0.42634 6.61479
125 1PNO NAP 0.01781 0.41061 6.66667
126 1OFU GDP 0.0000001862 0.63328 6.72269
127 4TQG NDP 0.02188 0.40494 6.81115
128 2Q1S NAI 0.0292 0.41269 6.89655
129 4J4H NAI 0.0359 0.41039 6.94981
130 4J4H 1J1 0.0359 0.41039 6.94981
131 4JK3 NAD 0.01662 0.40824 6.94981
132 4E13 NAD 0.01578 0.40185 7.06714
133 3QV1 NAD 0.02188 0.40102 7.12166
134 2RH4 EMO 0.03167 0.41247 7.22022
135 3HRD MCN 0.02356 0.40906 7.27273
136 2AE2 NAP 0.02866 0.41053 7.30769
137 1C3V NDP 0.02664 0.40307 7.34694
138 2VAP GDP 0.0000003608 0.63979 7.49415
139 1FL2 FAD 0.04197 0.40108 7.49415
140 1M0S CIT 0.004253 0.40562 7.76256
141 5XDT MB3 0.0000001703 0.66413 7.79221
142 5XDT GDP 0.00000009231 0.66413 7.79221
143 1EZ4 NAD 0.004177 0.43755 7.86164
144 4RQU NAD 0.01571 0.41207 8
145 2PZM UDP 0.02711 0.41437 8.18182
146 2PZM NAD 0.02711 0.41437 8.18182
147 1NM5 NAP 0.02795 0.41909 8.33333
148 1NM5 NAD 0.02882 0.41909 8.33333
149 1J49 NAD 0.02215 0.40467 8.40841
150 4CQM NAP 0.02887 0.40132 8.81226
151 1MVN PCO 0.02994 0.40582 9.56938
152 1MVN FMN 0.01633 0.4058 9.56938
153 1YB5 NAP 0.007091 0.43528 9.68661
154 2GAG NAD 0.0295 0.40711 10
155 2NU8 COA 0.02104 0.40321 10.0703
156 3B1F NAD 0.01384 0.40623 10.6897
157 1EBF NAD 0.02064 0.40086 11.1732
158 3CB2 GDP 0.0000002389 0.62189 11.2412
159 2DTX BMA 0.01685 0.42146 12.1212
160 1HDR NAD 0.04737 0.40551 20.9016
161 4EI7 GDP 0.000000003429 0.57329 23.9075
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