Receptor
PDB id Resolution Class Description Source Keywords
1OFU 2.1 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF SULA:FTSZ FROM PSEUDOMONAS AERUGINOSA PSEUDOMONAS AERUGINOSA BACTERIAL CELL DIVISION INHIBITOR FTSZ SULA PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE SOS CELL DIVISION INHIBITOR SULA AND IN COMPLEX WITH FTSZ PROC.NATL.ACAD.SCI.USA V. 100 7889 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GDP A:1318;
B:1318;
Valid;
Valid;
none;
none;
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443.201 C10 H15 N5 O11 P2 c1nc2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OFU 2.1 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF SULA:FTSZ FROM PSEUDOMONAS AERUGINOSA PSEUDOMONAS AERUGINOSA BACTERIAL CELL DIVISION INHIBITOR FTSZ SULA PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE SOS CELL DIVISION INHIBITOR SULA AND IN COMPLEX WITH FTSZ PROC.NATL.ACAD.SCI.USA V. 100 7889 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 1OFU - GDP C10 H15 N5 O11 P2 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 196 families.
1 1OFU - GDP C10 H15 N5 O11 P2 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 171 families.
1 1OFU - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GDP; Similar ligands found: 153
No: Ligand ECFP6 Tc MDL keys Tc
1 GDP 1 1
2 GTP 0.909091 1
3 GP3 0.881579 0.973684
4 GNH 0.858974 0.986667
5 GNP 0.839506 0.973684
6 G 0.828947 0.986486
7 5GP 0.828947 0.986486
8 G1R 0.82716 0.986667
9 GCP 0.82716 0.973684
10 GSP 0.817073 0.948718
11 GAV 0.797619 0.961039
12 GMV 0.792683 0.973684
13 G2P 0.77381 0.961039
14 G2R 0.770115 0.961039
15 GDP MG 0.759036 0.923077
16 GP2 0.756098 0.961039
17 GDP BEF 0.75 0.9
18 GDD 0.747253 0.961039
19 GKE 0.747253 0.961039
20 GDC 0.747253 0.961039
21 GPG 0.741573 0.961039
22 G3D 0.732558 0.986486
23 ALF 5GP 0.729412 0.888889
24 Y9Z 0.728261 0.902439
25 GTP MG 0.724138 0.923077
26 BEF GDP 0.724138 0.888889
27 G5P 0.723404 0.973684
28 GFB 0.72043 0.961039
29 GTG 0.72043 0.936709
30 GDR 0.72043 0.961039
31 G4P 0.715909 0.986486
32 GCP G 0.715909 0.935065
33 6CK 0.712766 0.936709
34 G3A 0.712766 0.973684
35 GDP ALF 0.7 0.888889
36 GDP AF3 0.7 0.888889
37 YGP 0.698925 0.901235
38 JB2 0.697917 0.961039
39 GKD 0.697917 0.961039
40 GDX 0.690722 0.973684
41 GPD 0.690722 0.925
42 GMP 0.684211 0.88
43 0O2 0.666667 0.986486
44 G G 0.659574 0.935065
45 JB3 0.656863 0.948718
46 NGD 0.650485 0.961039
47 GDP 7MG 0.636364 0.911392
48 DGI 0.636364 0.923077
49 U2G 0.634615 0.936709
50 GPX 0.634409 0.946667
51 IDP 0.632184 0.972973
52 2MD 0.632075 0.891566
53 CAG 0.62963 0.880952
54 CG2 0.622642 0.936709
55 FEG 0.619048 0.879518
56 MGD 0.614679 0.891566
57 ZGP 0.613208 0.869048
58 GH3 0.612903 0.973333
59 3GP 0.611765 0.946667
60 MD1 0.607143 0.891566
61 PGD 0.59292 0.925
62 DGT 0.591398 0.923077
63 BGO 0.588785 0.924051
64 TPG 0.582609 0.840909
65 DBG 0.582609 0.948718
66 2GP 0.574713 0.96
67 FE9 0.570175 0.776596
68 I2C FE2 CMO CMO 0.566372 0.808989
69 G A A A 0.553571 0.923077
70 MGP 0.553191 0.961039
71 U A G G 0.548673 0.935065
72 G4M 0.548387 0.880952
73 6G0 0.547368 0.961039
74 G1R G1R 0.542373 0.924051
75 P2G 0.527473 0.883117
76 PGD O 0.525 0.850575
77 ADP 0.522222 0.92
78 GGM 0.517544 0.901235
79 DG 0.516484 0.910256
80 DGP 0.516484 0.910256
81 P1G 0.516129 0.871795
82 G G U 0.509259 0.935065
83 G1G 0.508475 0.925
84 IMP 0.505495 0.959459
85 G C 0.504348 0.9
86 GPC 0.491525 0.879518
87 G7M 0.483871 0.948052
88 6AD 0.479592 0.841463
89 ATP 0.473684 0.92
90 G2Q 0.471154 0.961039
91 U G A 0.469697 0.888889
92 5FA 0.46875 0.92
93 AQP 0.46875 0.92
94 GTA 0.468468 0.936709
95 7DD 0.468085 0.906667
96 G G G RPC 0.466102 0.875
97 SGP 0.463158 0.82716
98 01G 0.462963 0.902439
99 B4P 0.457447 0.894737
100 AP5 0.457447 0.894737
101 A2D 0.456522 0.894737
102 G G G C 0.455285 0.9125
103 ACQ 0.454545 0.896104
104 5GP 5GP 0.454545 0.883117
105 ANP 0.454545 0.896104
106 A G C C 0.451613 0.911392
107 APC G U 0.45082 0.886076
108 G U34 0.449153 0.888889
109 DG DG 0.448598 0.865854
110 ITT 0.447917 0.868421
111 BA3 0.446809 0.894737
112 35G 0.444444 0.933333
113 C2E 0.444444 0.921053
114 PCG 0.444444 0.933333
115 MGO 0.441176 0.864198
116 AN2 0.4375 0.907895
117 G C C C 0.4375 0.924051
118 M33 0.43299 0.883117
119 UCG 0.429688 0.911392
120 A G U 0.42963 0.888889
121 ACP 0.428571 0.896104
122 MGQ 0.424528 0.935897
123 7DT 0.424242 0.906667
124 APR 0.424242 0.894737
125 AR6 0.424242 0.894737
126 93A 0.42268 0.833333
127 A4P 0.420168 0.869048
128 SAP 0.42 0.873418
129 AD9 0.42 0.896104
130 AGS 0.42 0.873418
131 G8D 0.42 0.875
132 CA0 0.418367 0.896104
133 ATF 0.417476 0.884615
134 AGO 0.414634 0.888889
135 NIA 0.413043 0.82716
136 MGV 0.412844 0.890244
137 TAT 0.411765 0.884615
138 A1R 0.411215 0.839506
139 ADQ 0.411215 0.871795
140 RGT 0.410714 0.909091
141 CGP 0.409836 0.86747
142 AMP 0.408602 0.893333
143 A 0.408602 0.893333
144 UP5 0.40678 0.873418
145 C2R 0.406593 0.906667
146 AMZ 0.406593 0.918919
147 JBT 0.405882 0.778947
148 A22 0.40566 0.907895
149 25L 0.405405 0.907895
150 ADX 0.40404 0.809524
151 8OD 0.401961 0.946667
152 4TC 0.4 0.851852
153 50T 0.4 0.883117
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1OFU; Ligand: GDP; Similar sites found: 43
This union binding pocket(no: 1) in the query (biounit: 1ofu.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5HTX ADP 0.008155 0.418 3.36134
2 4MXP DB4 0.01123 0.4034 3.36134
3 5VFC 9BA 0.01111 0.40228 3.75
4 5AOA PPI 0.01876 0.41708 4.20168
5 1PR9 NAP 0.01462 0.40178 4.91803
6 4D86 ADP 0.0009331 0.43579 5.3125
7 1M0S CIT 0.01067 0.41665 5.47945
8 3M89 GSP 0.0000001862 0.63328 6.72269
9 2X1L MET 0.007874 0.4285 6.72269
10 5KSP GDP 0.004182 0.42755 6.72269
11 5FJN FAD 0.01635 0.40851 6.72269
12 5FJN BE2 0.01854 0.40851 6.72269
13 4TQG NDP 0.01208 0.40067 6.72269
14 4JZ8 CIT 0.01184 0.42105 6.94006
15 4U7W NDP 0.007282 0.40905 7.56302
16 2NVK NAP 0.02366 0.40348 7.56302
17 1R55 097 0.009071 0.42017 8.40336
18 3F8D FAD 0.04807 0.40219 8.40336
19 5M67 3D1 0.02834 0.40214 8.40336
20 5M67 NAD 0.0292 0.40152 8.40336
21 3DTU DXC 0.01378 0.41967 9.2437
22 2WDQ TEO 0.01413 0.41502 10.3125
23 2H88 TEO 0.01761 0.40576 10.6796
24 4O1M NAD 0.0116 0.40274 11.7647
25 3ZBQ GDP 0.000003253 0.53971 13.4454
26 2YVJ NAI 0.006876 0.40235 13.7615
27 1UWK NAD 0.01433 0.41375 14.2857
28 5EYP GDP 0.0000002581 0.60437 15
29 5ITZ GDP 0.0000002271 0.59702 15
30 5ITZ GTP 0.0000008965 0.57846 15
31 5EYP GTP 0.000001001 0.57636 15
32 3RYC GDP 0.0000001289 0.61025 15.3125
33 3RYC GTP 0.0000004351 0.60075 15.3125
34 4LNU GDP 0.0000001442 0.57209 15.3125
35 4LNU GTP 0.0000004814 0.51475 15.3125
36 5EIB GTP 0.0000005454 0.51394 15.3125
37 3CB2 GDP 0.0000001079 0.58215 15.9375
38 4Q9N NAI 0.008747 0.40944 16.8067
39 4CU7 GIF 0.01587 0.40391 16.8067
40 3OND ADN 0.02678 0.40255 17.6471
41 1P77 ATR 0.01779 0.40987 24.3697
42 2BTO GTP 0.00000005103 0.62765 25.625
43 4EI7 GDP 0.000000006008 0.61413 30.9375
Pocket No.: 2; Query (leader) PDB : 1OFU; Ligand: GDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1ofu.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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