Receptor
PDB id Resolution Class Description Source Keywords
4EI7 1.9 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF BACILLUS CEREUS TUBZ, GDP-FORM BACILLUS CEREUS GTP HYDROLASE PLASMID SEGREGATION REPLICATION
Ref.: FILAMENT FORMATION OF THE FTSZ/TUBULIN-LIKE PROTEIN FROM THE BACILLUS CEREUS PXO1 PLASMID. J.BIOL.CHEM. V. 287 32103 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GDP A:500;
B:500;
Valid;
Valid;
none;
none;
submit data
443.201 C10 H15 N5 O11 P2 c1nc2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4EI7 1.9 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF BACILLUS CEREUS TUBZ, GDP-FORM BACILLUS CEREUS GTP HYDROLASE PLASMID SEGREGATION REPLICATION
Ref.: FILAMENT FORMATION OF THE FTSZ/TUBULIN-LIKE PROTEIN FROM THE BACILLUS CEREUS PXO1 PLASMID. J.BIOL.CHEM. V. 287 32103 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 4EI7 - 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 222 families.
1 4EI7 - 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 185 families.
1 4EI7 - 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 : 4EI7; Ligand: GDP; Similar sites found: 54
This union binding pocket(no: 1) in the query (biounit: 4ei7.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FA6 NAP 0.02107 0.41372 1.77994
2 5FA6 FAD 0.02052 0.41372 1.77994
3 5FA6 FMN 0.02052 0.41372 1.77994
4 3GD4 FAD 0.02001 0.40708 1.95695
5 3GD4 NAD 0.0349 0.40391 1.95695
6 2DPY ADP 0.03358 0.40024 2.31362
7 5U8U FAD 0.02995 0.4027 2.57069
8 4M73 M72 0.003303 0.42566 2.67062
9 2OHV NHL 0.02482 0.403 3.0303
10 2BTO GTP 0.0000000289 0.61598 3.08483
11 3F3E LEU 0.007713 0.4098 3.08483
12 2VZZ SCA 0.00424 0.41122 3.21101
13 3CTY FAD 0.01771 0.40058 3.44828
14 4OYA 1VE 0.02196 0.40714 4.37018
15 4ZVV NAD 0.02112 0.40666 4.51807
16 4ZVV GN0 0.02112 0.40666 4.51807
17 5EIB GTP 0.000000003776 0.65766 4.62725
18 4LNU GTP 0.000000005287 0.65164 4.62725
19 5ITZ GDP 0.000000003521 0.65026 4.62725
20 5EYP GDP 0.00000001276 0.63844 4.62725
21 5ITZ GTP 0.00000001461 0.63345 4.62725
22 5EYP GTP 0.0000000174 0.63032 4.62725
23 4LNU GDP 0.00000003026 0.60462 4.62725
24 2X1L ADN 0.02276 0.40101 4.62725
25 1BZL FAD 0.008904 0.44027 4.88432
26 3KV8 FAH 0.02351 0.40387 5.03597
27 1H0A I3P 0.01039 0.43251 5.06329
28 3B9Z CO2 0.0228 0.42056 5.14139
29 1NAA ABL 0.02056 0.40382 5.9126
30 1NAA 6FA 0.01674 0.40081 5.9126
31 1RQ2 CIT 0.00000002938 0.60464 6.02094
32 3ZBQ GDP 0.0000009575 0.53285 6.60661
33 1W5F G2P 0.0000003271 0.57547 6.79887
34 2YVF FAD 0.0167 0.41198 8.22622
35 2YVF NAD 0.01724 0.41198 8.22622
36 5MW4 5JU 0.01099 0.40612 8.38323
37 5LXT GDP 0.00000001988 0.70446 8.39161
38 5LXT 7AK 0.00000006226 0.67927 8.39161
39 5LXT GTP 0.000000123 0.65421 8.39161
40 2YJP CYS 0.0353 0.40044 9.27835
41 1ZK7 FAD 0.01811 0.40098 11.8252
42 3DST GRG 0.009471 0.42998 13.5952
43 3RYC GTP 0.000000002744 0.67366 14.6853
44 3RYC GDP 0.00000001338 0.62962 14.6853
45 3CB2 GDP 0.00000000252 0.61101 17.9949
46 4DXD GDP 0.0000000128 0.60368 18.509
47 2VAP GDP 0.00000002977 0.62562 19.5055
48 2R75 01G 0.000000001222 0.68062 19.5266
49 5XDT MB3 0.0000000004717 0.71068 23.3766
50 5XDT GDP 0.0000000007149 0.68744 23.3766
51 3M89 GSP 0.000000003429 0.57329 23.9075
52 1OFU GDP 0.000000006008 0.61413 30.9375
53 2RHO GSP 0.0000002112 0.58076 35.6923
54 2RHO GDP 0.00000003238 0.55247 35.6923
Pocket No.: 2; Query (leader) PDB : 4EI7; Ligand: GDP; Similar sites found: 9
This union binding pocket(no: 2) in the query (biounit: 4ei7.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3TDC 0EU 0.03437 0.40729 2.05656
2 4MIG G3F 0.01997 0.40398 2.05656
3 2A8X FAD 0.01341 0.40772 2.57069
4 1ZMD FAD 0.01831 0.40078 3.85604
5 3RNM FAD 0.01093 0.4117 4.11311
6 1YB5 NAP 0.0119 0.40119 5.39846
7 4JDR FAD 0.008021 0.41588 5.65553
8 4M52 FAD 0.01498 0.40469 8.79828
9 2F5Z FAD 0.01294 0.40843 17.1875
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