Receptor
PDB id Resolution Class Description Source Keywords
5EIB 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CPAP PN2-3 C-TERMINAL LOOP-HELIX IN COM DARPIN-TUBULIN BOS TAURUS PN2-3 TUBULIN COMPLEX CELL CYCLE
Ref.: MOLECULAR BASIS FOR CPAP-TUBULIN INTERACTION IN CON CENTRIOLAR AND CILIARY LENGTH NAT COMMUN V. 7 11874 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GTP D:501;
C:501;
Valid;
Valid;
none;
none;
submit data
523.18 C10 H16 N5 O14 P3 c1nc2...
MG C:502;
D:502;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EIB 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CPAP PN2-3 C-TERMINAL LOOP-HELIX IN COM DARPIN-TUBULIN BOS TAURUS PN2-3 TUBULIN COMPLEX CELL CYCLE
Ref.: MOLECULAR BASIS FOR CPAP-TUBULIN INTERACTION IN CON CENTRIOLAR AND CILIARY LENGTH NAT COMMUN V. 7 11874 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5EIB - 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 1068 families.
1 5EIB - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
50% Homology Family (30)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5JVD Ka = 13000000 M^-1 6NL C19 H18 O6 C/C(=Cc1cc....
2 5GON - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 5M8G - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
4 4I50 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 4O2B ic50 = 1.4 uM LOC C22 H25 N O6 CC(=O)N[C@....
6 5IYZ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
7 4O4L - POU C27 H48 O11 CC[C@@H](C....
8 4I55 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 4O2A Kd = 1.8 uM 2RR C20 H17 N7 O2 c1ccc2c(c1....
10 4O4I - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
11 5CA0 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
12 5M7E - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
13 5LOV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
14 5M7G - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
15 4O4J - POU C27 H48 O11 CC[C@@H](C....
16 5LXS Ka = 93000000 M^-1 7AO C43 H65 N5 O9 C[C@H]1[C@....
17 4TV8 - 3GT C34 H46 Cl N3 O10 C[C@@H]1[C....
18 5EZY - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
19 5CA1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
20 4I4T - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
21 4TV9 - 3H4 C31 H45 N3 O7 C/C=CC[C@@....
22 5BMV - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
23 4ZOL - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
24 4O4H - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
25 5LA6 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
26 5CB4 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
27 5J2T - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
28 5EIB - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
29 5ITZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
30 4LNU - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GTP; Similar ligands found: 147
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 GNP 0.809524 0.973684
9 GCP 0.797619 0.973684
10 5GP 0.797468 0.986486
11 G 0.797468 0.986486
12 GMV 0.764706 0.973684
13 G2R 0.764045 0.961039
14 G5P 0.755319 0.973684
15 GTG 0.752688 0.936709
16 G2P 0.747126 0.961039
17 G3A 0.744681 0.973684
18 GDD 0.741935 0.961039
19 GKE 0.741935 0.961039
20 GDC 0.741935 0.961039
21 0O2 0.736264 0.986486
22 GP2 0.729412 0.961039
23 6CK 0.726316 0.936709
24 Y9Z 0.723404 0.902439
25 GPG 0.717391 0.961039
26 GFB 0.715789 0.961039
27 GDR 0.715789 0.961039
28 GDP MG 0.712644 0.923077
29 GDP BEF 0.704545 0.9
30 GPD 0.704082 0.925
31 JB2 0.693878 0.961039
32 GKD 0.693878 0.961039
33 GCP G 0.692308 0.935065
34 GDX 0.686869 0.973684
35 ALF 5GP 0.685393 0.888889
36 GTP MG 0.681319 0.923077
37 BEF GDP 0.681319 0.888889
38 GH3 0.681319 0.973333
39 YGP 0.677083 0.901235
40 G3D 0.67033 0.986486
41 GDP AF3 0.659574 0.888889
42 GDP ALF 0.659574 0.888889
43 DGT 0.659341 0.923077
44 GMP 0.658228 0.88
45 G4P 0.655914 0.986486
46 JB3 0.653846 0.948718
47 NGD 0.647619 0.961039
48 CAG 0.642202 0.880952
49 2MD 0.62963 0.891566
50 G G 0.622449 0.935065
51 MGP 0.619565 0.961039
52 U2G 0.616822 0.936709
53 6G0 0.612903 0.961039
54 MGD 0.612613 0.891566
55 TPG 0.608696 0.840909
56 CG2 0.605505 0.936709
57 GDP 7MG 0.601942 0.911392
58 FEG 0.601852 0.879518
59 ZGP 0.59633 0.869048
60 MD1 0.591304 0.891566
61 PGD 0.591304 0.925
62 3GP 0.590909 0.946667
63 GPX 0.581633 0.946667
64 DGI 0.580645 0.923077
65 IDP 0.576087 0.972973
66 DBG 0.567797 0.948718
67 FE9 0.555556 0.776596
68 2GP 0.555556 0.96
69 G4M 0.547619 0.880952
70 BGO 0.544643 0.924051
71 I2C FE2 CMO CMO 0.538462 0.808989
72 ATP 0.537634 0.92
73 G1G 0.533898 0.925
74 AQP 0.531915 0.92
75 5FA 0.531915 0.92
76 G A A A 0.525862 0.923077
77 U A G G 0.521368 0.935065
78 01G 0.518868 0.902439
79 ITT 0.510638 0.868421
80 P2G 0.510638 0.883117
81 GGM 0.504274 0.901235
82 G1R G1R 0.504065 0.924051
83 DGP 0.5 0.910256
84 PGD O 0.5 0.850575
85 MGO 0.5 0.864198
86 P1G 0.5 0.871795
87 DG 0.5 0.910256
88 GTA 0.495495 0.936709
89 B4P 0.489362 0.894737
90 AP5 0.489362 0.894737
91 IMP 0.489362 0.959459
92 7DT 0.484536 0.906667
93 G G U 0.482143 0.935065
94 GPC 0.479339 0.879518
95 G C 0.478992 0.9
96 BA3 0.478723 0.894737
97 ADP 0.473684 0.92
98 G2Q 0.471698 0.961039
99 G7M 0.46875 0.948052
100 25L 0.458716 0.907895
101 A2D 0.457447 0.894737
102 RGT 0.45045 0.909091
103 AGS 0.45 0.873418
104 SAP 0.45 0.873418
105 SGP 0.44898 0.82716
106 U G A 0.448529 0.888889
107 A4P 0.445378 0.869048
108 G G G RPC 0.442623 0.875
109 ACQ 0.441176 0.896104
110 ANP 0.441176 0.896104
111 8GT 0.441176 0.875
112 APC G U 0.44 0.886076
113 G U34 0.438017 0.888889
114 6AD 0.436893 0.841463
115 G G G C 0.433071 0.9125
116 UP5 0.432203 0.873418
117 35G 0.431373 0.933333
118 C2E 0.431373 0.921053
119 PCG 0.431373 0.933333
120 A G C C 0.429688 0.911392
121 5GP 5GP 0.427184 0.883117
122 TAT 0.427184 0.884615
123 APR 0.425743 0.894737
124 AR6 0.425743 0.894737
125 AN2 0.424242 0.907895
126 7DD 0.424242 0.906667
127 DG DG 0.423423 0.865854
128 AD9 0.421569 0.896104
129 M33 0.42 0.883117
130 7D4 0.42 0.835443
131 UCG 0.419847 0.911392
132 H6Y 0.419048 0.946667
133 G C C C 0.416667 0.924051
134 ACP 0.415842 0.896104
135 T5A 0.414634 0.802326
136 MGQ 0.412844 0.935897
137 ADQ 0.412844 0.871795
138 A1R 0.412844 0.839506
139 MGT 0.411215 0.823529
140 A G U 0.410072 0.888889
141 93A 0.41 0.833333
142 A22 0.407407 0.907895
143 CA0 0.405941 0.896104
144 ATF 0.40566 0.884615
145 AGO 0.404762 0.888889
146 MGV 0.401786 0.890244
147 CGP 0.4 0.86747
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5EIB; Ligand: GTP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5eib.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5EIB; Ligand: GTP; Similar sites found: 36
This union binding pocket(no: 2) in the query (biounit: 5eib.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1W62 PYC 0.01428 0.42402 3.38164
2 2RHO GSP 0.0000001991 0.55573 4.61538
3 2RHO GDP 0.000007502 0.44724 4.61538
4 4EI7 GDP 0.000000003776 0.65766 4.62725
5 1Z82 G3H 0.02797 0.40856 4.77612
6 1Z82 G3P 0.03201 0.40544 4.77612
7 1FQK ALF 0.03578 0.40424 6.12245
8 1W5F G2P 0.0000004505 0.54909 6.79887
9 1YTM OXD 0.03241 0.40581 7.09534
10 4P6G 2FZ 0.02735 0.40118 7.9646
11 1RQ2 CIT 0.0000005242 0.52893 8.11518
12 2BES RES 0.02167 0.40258 8.72093
13 1BZL FAD 0.03528 0.40496 10.0592
14 1OFS SUC 0.006287 0.44224 11.2299
15 4DXD GDP 0.00000003423 0.60488 11.9101
16 5XDT MB3 0.0000006928 0.55988 11.9101
17 5XDT GDP 0.0000003359 0.55988 11.9101
18 3F8D FAD 0.02528 0.40161 12.426
19 2VAP GDP 0.0000001552 0.57758 12.9121
20 1LOB MMA 0.01911 0.41305 13.4615
21 3GDN HBX 0.004926 0.4219 13.6095
22 3GDN FAD 0.003942 0.41893 13.6095
23 2R75 01G 0.0000000148 0.61532 14.7929
24 1OFU GDP 0.0000005454 0.51394 15.3125
25 1XXR MAN 0.00798 0.43638 19.8758
26 3CGD COA 0.01484 0.4157 26.087
27 3CGD FAD 0.01484 0.4157 26.087
28 3CGD NAD 0.01484 0.4157 26.087
29 2GND MAN MMA 0.005192 0.44716 30.4348
30 1Q8Q MAN MMA 0.006296 0.44264 30.4348
31 2GMM MAN MAN 0.006813 0.43579 30.4348
32 1Q8S MAN MMA 0.008954 0.43527 30.4348
33 2PHT MAN MAN MAN BMA MAN 0.009181 0.42501 30.4348
34 2GND MAN 0.01223 0.42448 30.4348
35 2PHT MAN MAN MAN 0.02543 0.4093 30.4348
36 3Q9T FAY 0.00533 0.40845 30.4348
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