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Receptor
PDB id Resolution Class Description Source Keywords
2BTO 2.5 Å NON-ENZYME: OTHER STRUCTURE OF BTUBA FROM PROSTHECOBACTER DEJONGEII PROSTHECOBACTER DEJONGEII BACTERIAL TUBULIN POLYMERIZATION CYTOSKELETON PROTEIN COMCYTOSKELETAL PROTEIN
Ref.: STRUCTURE OF BACTERIAL TUBULIN BTUBA/B: EVIDENCE FO HORIZONTAL GENE TRANSFER. PROC.NATL.ACAD.SCI.USA V. 102 9170 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GTP A:1433;
B:1433;
Valid;
Valid;
none;
none;
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523.18 C10 H16 N5 O14 P3 c1nc2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BTO 2.5 Å NON-ENZYME: OTHER STRUCTURE OF BTUBA FROM PROSTHECOBACTER DEJONGEII PROSTHECOBACTER DEJONGEII BACTERIAL TUBULIN POLYMERIZATION CYTOSKELETON PROTEIN COMCYTOSKELETAL PROTEIN
Ref.: STRUCTURE OF BACTERIAL TUBULIN BTUBA/B: EVIDENCE FO HORIZONTAL GENE TRANSFER. PROC.NATL.ACAD.SCI.USA V. 102 9170 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2BTO - GTP C10 H16 N5 O14 P3 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 1205 families.
1 2BTO - GTP C10 H16 N5 O14 P3 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 1039 families.
1 2BTO - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GTP; Similar ligands found: 156
No: Ligand ECFP6 Tc MDL keys Tc
1 GTP 1 1
2 GP3 0.921053 0.973684
3 GDP 0.909091 1
4 GSP 0.853659 0.948718
5 GNH 0.82716 0.986667
6 G1R 0.819277 0.986667
7 GAV 0.811765 0.961039
8 9GM 0.809524 0.973684
9 GNP 0.809524 0.973684
10 GCP 0.797619 0.973684
11 5GP 0.797468 0.986486
12 G 0.797468 0.986486
13 GMV 0.764706 0.973684
14 G2R 0.764045 0.961039
15 G5P 0.755319 0.973684
16 GTG 0.752688 0.936709
17 G2P 0.747126 0.961039
18 G3A 0.744681 0.973684
19 GDD 0.741935 0.961039
20 GDC 0.741935 0.961039
21 GKE 0.741935 0.961039
22 0O2 0.736264 0.986486
23 GP2 0.729412 0.961039
24 6CK 0.726316 0.936709
25 Y9Z 0.723404 0.902439
26 GPG 0.717391 0.961039
27 GFB 0.715789 0.961039
28 GDR 0.715789 0.961039
29 GPD 0.704082 0.925
30 GKD 0.693878 0.961039
31 JB2 0.693878 0.961039
32 GDX 0.686869 0.973684
33 ALF 5GP 0.685393 0.888889
34 GH3 0.681319 0.973333
35 YGP 0.677083 0.901235
36 G3D 0.67033 0.986486
37 GDP AF3 0.659574 0.888889
38 ALF GDP 0.659574 0.888889
39 GDP ALF 0.659574 0.888889
40 DGT 0.659341 0.923077
41 GMP 0.658228 0.88
42 G4P 0.655914 0.986486
43 JB3 0.653846 0.948718
44 NGD 0.647619 0.961039
45 CAG 0.642202 0.880952
46 2MD 0.62963 0.891566
47 MGP 0.619565 0.961039
48 U2G 0.616822 0.936709
49 6G0 0.612903 0.961039
50 MGD 0.612613 0.891566
51 TPG 0.608696 0.840909
52 CG2 0.605505 0.936709
53 GDP 7MG 0.601942 0.911392
54 FEG 0.601852 0.879518
55 G G 0.598039 0.948052
56 ZGP 0.59633 0.869048
57 PGD 0.591304 0.925
58 MD1 0.591304 0.891566
59 3GP 0.590909 0.946667
60 GPX 0.581633 0.946667
61 DGI 0.580645 0.923077
62 IDP 0.576087 0.972973
63 DBG 0.567797 0.948718
64 2GP 0.555556 0.96
65 FE9 0.555556 0.776596
66 G4M 0.547619 0.880952
67 BGO 0.544643 0.924051
68 GCP G 0.543689 0.921053
69 ATP 0.537634 0.92
70 HEJ 0.537634 0.92
71 G1G 0.533898 0.925
72 AQP 0.531915 0.92
73 5FA 0.531915 0.92
74 A G 0.525862 0.935065
75 G A A A 0.525862 0.923077
76 U A G G 0.521368 0.935065
77 HFD 0.520833 0.873418
78 R5I 0.520408 0.946667
79 R7I 0.520408 0.946667
80 01G 0.518868 0.902439
81 P2G 0.510638 0.883117
82 ITT 0.510638 0.868421
83 AKW 0.504348 0.890244
84 GGM 0.504274 0.901235
85 G1R G1R 0.504065 0.924051
86 DGP 0.5 0.910256
87 PGD O 0.5 0.850575
88 MGO 0.5 0.864198
89 DG 0.5 0.910256
90 P1G 0.5 0.871795
91 GTA 0.495495 0.936709
92 PRT 0.490741 0.959459
93 B4P 0.489362 0.894737
94 AP5 0.489362 0.894737
95 IMP 0.489362 0.959459
96 G U 0.487179 0.9
97 7DT 0.484536 0.906667
98 GPC 0.479339 0.879518
99 G C 0.478992 0.9
100 BA3 0.478723 0.894737
101 ADP 0.473684 0.92
102 G2Q 0.471698 0.961039
103 6YZ 0.470588 0.896104
104 G7M 0.46875 0.948052
105 C1Z 0.462963 0.986486
106 25L 0.458716 0.907895
107 A2D 0.457447 0.894737
108 RGT 0.45045 0.909091
109 AGS 0.45 0.873418
110 SAP 0.45 0.873418
111 SGP 0.44898 0.82716
112 A4P 0.445378 0.869048
113 G G G RPC 0.442623 0.875
114 ANP 0.441176 0.896104
115 ACQ 0.441176 0.896104
116 8GT 0.441176 0.875
117 APC G U 0.44 0.886076
118 AT4 0.438776 0.884615
119 G U34 0.438017 0.888889
120 6AD 0.436893 0.841463
121 G G G C 0.433071 0.9125
122 UP5 0.432203 0.873418
123 PCG 0.431373 0.933333
124 C2E 0.431373 0.921053
125 35G 0.431373 0.933333
126 A G C C 0.429688 0.911392
127 T99 0.427184 0.884615
128 5GP 5GP 0.427184 0.883117
129 TAT 0.427184 0.884615
130 AR6 0.425743 0.894737
131 APR 0.425743 0.894737
132 7DD 0.424242 0.906667
133 AN2 0.424242 0.907895
134 DG DG 0.423423 0.865854
135 AD9 0.421569 0.896104
136 M33 0.42 0.883117
137 7D4 0.42 0.835443
138 UCG 0.419847 0.911392
139 HDV 0.419048 0.825
140 H6Y 0.419048 0.946667
141 G C C C 0.416667 0.924051
142 ACP 0.415842 0.896104
143 T5A 0.414634 0.802326
144 A1R 0.412844 0.839506
145 ADQ 0.412844 0.871795
146 MGQ 0.412844 0.935897
147 A3R 0.412844 0.839506
148 MGT 0.411215 0.823529
149 A G U 0.410072 0.888889
150 93A 0.41 0.833333
151 A22 0.407407 0.907895
152 CA0 0.405941 0.896104
153 ATF 0.40566 0.884615
154 AGO 0.404762 0.888889
155 MGV 0.401786 0.890244
156 CGP 0.4 0.86747
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BTO; Ligand: GTP; Similar sites found with APoc: 143
This union binding pocket(no: 1) in the query (biounit: 2bto.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC 1.05708
2 2BOS GLA GAL GLC NBU 1.05708
3 6AM8 TRP 2.0202
4 1MVQ MMA 2.54237
5 2BQP GLC 2.77778
6 5V6F MAN BMA MAN 2.77778
7 4EI7 GDP 3.08483
8 3I0O SMI 3.17125
9 1MID LAP 3.2967
10 4WGF HX2 3.41463
11 3UEC ALA ARG TPO LYS 3.42466
12 1RV1 IMZ 3.52941
13 3I7S PYR 3.7037
14 4TQK NAG 3.7037
15 4LAY I63 3.7037
16 1T3D CYS 4.15225
17 3CHT 4NB 4.16667
18 1R6N 434 4.2654
19 4DXD GDP 4.62963
20 4HA6 FAD 4.62963
21 2F5X ASP 4.62963
22 5EYY MDM 4.62963
23 2Q8G AZX 4.62963
24 3ACT BGC 4.62963
25 1GET NAP 4.62963
26 1GET FAD 4.62963
27 6DWI HD4 5.15021
28 3G4Q MCH 5.47945
29 5XDT MB3 5.55556
30 5XDT GDP 5.55556
31 1E4I NFG 5.55556
32 5OLK DTP 5.55556
33 4ZX2 4TE 5.55556
34 4C3Y ANB 5.55556
35 4C3Y FAD 5.55556
36 1HBK COA 5.61798
37 2ZGY GDP 5.625
38 3F8D FAD 6.19195
39 1OFS SUC 6.25
40 2UXR ICT 6.48148
41 3FJG 3PG 6.48148
42 4YKG NAD 6.48148
43 1VBO MAN 6.48148
44 3COW 52H 6.48148
45 3W54 RNB 6.48148
46 1Q8V MAN MAN MAN 6.74603
47 2PHU MAN MAN 6.74603
48 1Q8V MAN MAN 6.74603
49 2PHX MAN MAN MAN MAN 6.74603
50 1Q8O MAN MMA 6.74603
51 2GMM MAN MAN 6.74603
52 1Q8P MAN MMA 6.74603
53 2GNB MAN 6.74603
54 2GNM MAN 6.74603
55 6FLZ MMA 6.94444
56 5HUA FK5 6.95652
57 4M52 FAD 7.40741
58 4JDR FAD 7.40741
59 6F7L FAD 7.40741
60 4JNE ATP 7.40741
61 3CGD FAD 7.40741
62 4WOE 3S5 7.40741
63 3CQ5 PMP 7.61099
64 5AOA PPI 8.04196
65 3KIH GDL 8.24742
66 2AWN ADP 8.33333
67 1BZL GCG 8.33333
68 5KZD RCJ 8.33333
69 1D4D FAD 8.33333
70 4YZ5 DAN 8.33333
71 1LVL FAD 8.33333
72 2RAB FAD 8.33333
73 2RAB NAD 8.33333
74 2FMD MAN MAN 9.16667
75 5NM7 GLY 9.25926
76 6BYF CIT 9.25926
77 5LJW ANP 9.25926
78 5C1M OLC 9.25926
79 2JK0 ASP 9.25926
80 6GAS FAD 9.25926
81 5FJN FAD 9.25926
82 5FJN BE2 9.25926
83 1PFK ADP 9.25926
84 1SBR VIB 10
85 2RHO GSP 10.1852
86 2RHO GDP 10.1852
87 1NAA ABL 10.1852
88 2WPF WPF 10.1852
89 2WPF FAD 10.1852
90 1NAA 6FA 10.1852
91 3VGL ANP 10.1852
92 2E2P ADP 10.1852
93 4UP4 NDG 10.1852
94 4UP4 NAG 10.1852
95 4UP4 GAL NAG 10.1852
96 1F74 NAY 10.1852
97 4WZA ADP 10.8696
98 4WZA ACP 10.8696
99 1PJS NAD 11.1111
100 3KAL HGS 11.1111
101 3HP9 CF1 11.1111
102 4E70 N7I 11.1111
103 2XZ9 PYR 12.037
104 3AB1 FAD 12.037
105 1IXI 2HP 12.037
106 1FMB HYB 12.5
107 2ZL4 ALA ALA ALA ALA 12.7551
108 1RQ2 CIT 13.8889
109 2VAP GDP 14.5604
110 6HKE LMR 14.8148
111 6BVM EBV 14.8148
112 6BVK EAV 14.8148
113 6HKE MLT 14.8148
114 4URX FK1 14.8148
115 4MGA 27L 15.7407
116 3UUA 0CZ 15.7407
117 4TV1 36M 15.7407
118 4MG9 27K 15.7407
119 4MGD 27N 15.7407
120 1W5F G2P 16.1473
121 3ITJ FAD 16.6667
122 3CV2 COA 17.5926
123 3PA8 621 17.5926
124 1OS7 AKG 17.5926
125 1PS9 FAD 19.4444
126 1MO9 KPC 20.3704
127 1MO9 FAD 20.3704
128 4M00 SUC 20.3704
129 2R75 01G 20.7101
130 4U00 ADP 22.2222
131 3RNM FAD 22.4138
132 1LES GLC FRU 23.0769
133 5LWY OLB 23.1481
134 5LX9 OLB 23.1481
135 4MOP 2H5 24.0741
136 1LOJ URI 24.1379
137 1LOJ U 24.1379
138 1OFU GDP 25.625
139 6CB2 OLC 25.9259
140 1VDC FAD 27.7778
141 2F5Z FAD 31.25
142 1LVW TYD 34.2593
143 3CB2 GDP 49.6829
Pocket No.: 2; Query (leader) PDB : 2BTO; Ligand: GTP; 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: 2bto.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2BTO; Ligand: GTP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2bto.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2BTO; Ligand: GTP; Similar sites found with APoc: 91
This union binding pocket(no: 4) in the query (biounit: 2bto.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO5 PIH None
2 2CIX CEJ 2.00669
3 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 3.40136
4 2HIM ASN 3.7037
5 1ZK7 FAD 3.7037
6 6CGN DA 3.7037
7 5X30 HCS 3.7037
8 1C3X 8IG 3.7594
9 4GV4 MEJ 4.62963
10 3KP6 SAL 4.63576
11 1YBH P22 5.074
12 4YRY FAD 5.43478
13 1T9D P22 5.55556
14 4DE2 DN3 5.55556
15 1XKD ICT 5.55556
16 2YJD YJD 5.55556
17 1U3R 338 5.55556
18 4XCP PLM 5.88235
19 2BO4 FLC 6.04534
20 4P8O 883 6.41711
21 1M0S CIT 6.48148
22 2Z48 A2G 6.48148
23 4MRP GSH 6.48148
24 3V1S 0LH 6.48148
25 3RK0 AMP 6.48148
26 5OC1 FAD 6.48148
27 5MB4 NAG 6.48148
28 1VBO MAN MAN MAN 6.48148
29 1Q8Q MAN MMA 6.74603
30 1UKG MMA 6.74603
31 1Q8S MAN MMA 6.74603
32 2PHW MAN MAN 6.74603
33 2PHF MAN MAN 6.74603
34 2CUN 3PG 6.82927
35 1XZ3 ICF 6.89655
36 1V6A TRE 7.40741
37 4M52 M52 7.40741
38 1DTL BEP 7.40741
39 4HY1 19X 7.40741
40 3KIF GDL 7.54717
41 4H2D FMN 7.87879
42 2QJT AMP 8.33333
43 2GWH PCI 8.33333
44 1BZL FAD 8.33333
45 5M36 9SZ 8.33333
46 3ZZH NLG 8.33333
47 4KVL PLM 9.25926
48 1YYE 196 9.25926
49 3RY9 1CA 9.25926
50 1QMG DMV 9.25926
51 4ZW3 4S9 9.30233
52 1MT1 AG2 9.73451
53 1V59 FAD 10.1852
54 4IMG NGF 10.1852
55 5I39 FAD 12.037
56 1TDF NAP 12.037
57 1TDF FAD 12.037
58 6F97 FAD 12.0507
59 5F1V 3VN 12.963
60 4J6O CIT 12.963
61 1ZED PNP 13.8889
62 2Q7V FAD 13.8889
63 1GTE FAD 13.8889
64 4RF7 ARG 14.8148
65 3UUD EST 15.7407
66 5WGQ EST 15.7407
67 5WGD EST 15.7407
68 5HYR EST 15.7407
69 5DXE EST 15.7407
70 4MG7 27H 15.7407
71 4MGB XDH 15.7407
72 2QA8 GEN 15.7407
73 5DX3 EST 15.7407
74 4O4Z N2O 16.6667
75 3ITJ CIT 16.6667
76 6GN6 MAL 17.5926
77 5ODQ FAD 17.5926
78 1P9B HDA 17.5926
79 2RI1 GLP 17.5926
80 3CTY FAD 19.4444
81 1XXA ARG 20.5128
82 5TWB FAD 21.2963
83 5UGW GSH 23.1481
84 1XXR MAN 24.0741
85 3OF1 CMP 24.0741
86 5FPE 3TR 24.0741
87 3TKY N7I 25
88 5GOP FRU 27.7778
89 1LOB MMA 28.8462
90 3OLL EST 31.5789
91 4J56 FAD 44.4444
Pocket No.: 5; Query (leader) PDB : 2BTO; Ligand: GTP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2bto.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2BTO; Ligand: GTP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2bto.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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