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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 1443 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 1205 families.
1 5EIB - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
50% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5NJH Ka = 180000 M^-1 8Z8 C19 H17 Cl F3 N5 O COC1C[C@H]....
2 5JVD Ka = 13000000 M^-1 6NL C19 H18 O6 C/C(=Cc1cc....
3 5GON - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 5M8G - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
5 6FII Kd = 9.5 nM SG9 C63 H95 Cl O21 C[C@H]1[C@....
6 5NFZ Ka = 470000 M^-1 8WB C17 H18 O5 COc1ccc(c(....
7 4I50 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 4O2B ic50 = 1.4 uM LOC C22 H25 N O6 CC(=O)N[C@....
9 6FKL - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
10 6BR1 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
11 5IYZ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
12 4O4L - POU C27 H48 O11 CC[C@@H](C....
13 6FJM Kd = 576 nM DKN C40 H46 N2 O12 C/C=C/[C@H....
14 4I55 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
15 4O2A Kd = 1.8 uM 2RR C20 H17 N7 O2 c1ccc2c(c1....
16 5EIB - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
17 5ITZ - GDP C10 H15 N5 O11 P2 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 : 5EIB; Ligand: GTP; Similar sites found with APoc: 142
This union binding pocket(no: 1) in the query (biounit: 5eib.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 3NOJ PYR 2.52101
2 4WOE 3S5 3.14607
3 2OWZ CIT 3.31325
4 1W62 PYC 3.38164
5 3FC4 EDO 3.5503
6 1RL4 BL5 3.7234
7 1V6A TRE 3.91566
8 3A23 GAL 3.99113
9 3P7G MAN 4.10959
10 5OLK DTP 4.14201
11 4OUE IPT 4.14201
12 4MTI 2DX 4.34783
13 1H74 ILE 4.39189
14 2GZM DGL 4.49438
15 4Y24 TD2 4.54545
16 2RHO GSP 4.61538
17 2RHO GDP 4.61538
18 4EI7 GDP 4.62725
19 3V1S 0LH 4.65839
20 1RSG FAD 4.7191
21 3HQ9 OXL 5.21739
22 3KP6 SAL 5.29801
23 4NAE 1GP 5.33333
24 5V6F MAN BMA MAN 5.7971
25 4UP4 NDG 5.91716
26 4UP4 NAG 5.91716
27 2JE7 XMM 5.91716
28 1SDW IYT 6.05096
29 2HQM FAD 6.50888
30 4ZGM 32M 6.55738
31 3N8K D1X 6.65188
32 1W5F G2P 6.79887
33 6FLZ MMA 6.87361
34 6BYF CIT 7.05882
35 1IXI 2HP 7.31707
36 2JFQ DGL 7.34266
37 3PNA CMP 7.5388
38 4NPL AKG 7.6
39 2QJT AMP 7.69231
40 6GSZ BGC 7.69231
41 1ZUW DGL 7.72059
42 1INN MET 7.83133
43 4LAY I63 7.85714
44 5AK8 ALA ARG 7.99087
45 1VBO MAN MAN MAN 8.05369
46 1VBO MAN 8.05369
47 1RQ2 CIT 8.11518
48 4KJU 1RH 8.13953
49 4LAX FK5 8.17844
50 6BVM EBV 8.38323
51 6BVK EAV 8.38323
52 5ZI9 FLC 8.46154
53 1WOG 16D 8.52459
54 1TW4 CHD 8.8
55 2JK0 ASP 8.87574
56 2BQP GLC 8.97436
57 5TXR PLP 9.09091
58 3I7S PYR 9.46746
59 5ZZ6 ADP 9.46746
60 2RAB FAD 9.46746
61 2RAB NAD 9.46746
62 2ZGY GDP 9.6875
63 4HA6 FAD 10.0592
64 1BZL FAD 10.0592
65 1ECM TSA 10.0917
66 1ONI BEZ 10.1449
67 1OD3 BGC BGC 10.1996
68 3UW5 MAA CHG PRO 0DQ 10.3448
69 5HUA FK5 10.4348
70 3K0T BGC 10.4895
71 2EFX NFA 10.6509
72 5MST FUM 10.6509
73 1PJS NAD 10.6509
74 5OC1 FAD 10.6509
75 1OFS SUC 11.2299
76 3N9R TD3 11.2426
77 5EYY MDM 11.4286
78 1FHX 4IP 11.6279
79 3CYI ATP 11.8182
80 5TDC NMM ILE PHE SER 11.8421
81 4DXD GDP 11.9101
82 5XDT GDP 11.9101
83 5XDT MB3 11.9101
84 1U08 PLP 12.1762
85 2VAP GDP 12.9121
86 1SC3 MLI 12.9213
87 4IHL 1F5 13.0435
88 3OF1 CMP 13.4146
89 1LES GLC FRU 13.4615
90 1LOB MMA 13.4615
91 1LOF MAN BMA NAG NAG MAN NAG GAL GAL 13.4615
92 5W7B MYR 13.4752
93 3CM2 X23 13.8462
94 3ITJ CIT 14.2012
95 4D86 ADP 14.2012
96 2R75 01G 14.7929
97 2FMD MAN MAN 14.7929
98 1OFU GDP 15.3125
99 1GDE GLU PLP 15.9763
100 4A59 AMP 16.568
101 2VSL MAA LYS PRO PHE 16.6667
102 5FPE 3TR 17.3913
103 5X7Q GLC GLC GLC GLC 17.7515
104 5MB4 NAG 18.3432
105 2DWU DGL 19.5266
106 1XXR MAN 19.8758
107 1PVS 7HP 20.922
108 3PA8 621 21.3018
109 5C1M OLC 21.6
110 4S00 AKR 21.7391
111 4JLS 3ZE 21.7391
112 5LJW ANP 24.2604
113 4Y9D NAI 26.0355
114 1WPQ 13P 26.087
115 3KC1 2T6 26.087
116 5GZZ GSH 26.087
117 1TUU AMP 26.087
118 5X2N ALA 26.087
119 2GJP MAL 26.087
120 1USI PHE 26.087
121 1Q8S MAN MMA 30.4348
122 2PHX MAN MAN 30.4348
123 1Q8O MAN MMA 30.4348
124 2PHX MAN MAN MAN MAN 30.4348
125 4TVD BGC 30.4348
126 2PHW MAN MAN MAN BMA MAN MAN MAN 30.4348
127 2PHU MAN MAN MAN BMA MAN 30.4348
128 1Q8P MAN MMA 30.4348
129 2PHR MAN MAN BMA MAN 30.4348
130 2PHW MAN MAN 30.4348
131 2PHF MAN MAN BMA MAN 30.4348
132 2PHF MAN MAN 30.4348
133 2GND MAN MMA 30.4348
134 6GAS FAD 30.4348
135 2GNM MAN 30.4348
136 2GNB MAN 30.4348
137 2PHT MAN MAN MAN BMA MAN 30.4348
138 2PHU MAN MAN 30.4348
139 2PHR MAN MAN 30.4348
140 1ZGS XMM 33.7278
141 3TDC 0EU 34.7826
142 4JZR 4JR 43.4783
Pocket No.: 2; Query (leader) PDB : 5EIB; Ligand: GTP; Similar sites found with APoc: 123
This union binding pocket(no: 2) in the query (biounit: 5eib.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 4JZ8 CIT 3.15457
3 3SI2 PBD 3.5503
4 3EW2 BTN 3.7037
5 1RO7 CSF 3.861
6 3B5J 12D 4.04494
7 2UVO NAG 4.09357
8 4BTV RB3 4.14201
9 5J47 6JJ 4.56989
10 5Y02 HBX 4.6729
11 1Z82 G3H 4.77612
12 1Z82 G3P 4.77612
13 4WGF HX2 4.87805
14 2VNO GAL GAL FUC 5
15 5EXK MET 5.13595
16 5GOP FRU 5.32544
17 5GOO FRU 5.32544
18 4KYS VIB 5.32544
19 4MGA 27L 5.39326
20 3THR C2F 5.46075
21 3S5W NAP 5.61798
22 5NM7 GLY 5.6391
23 5KOD IAC 5.8427
24 4O4Z N2O 5.84416
25 2FN1 SAL 5.91716
26 3R75 BEZ 6.06742
27 2QCX PF1 6.08365
28 2Q0L NAP 6.10932
29 1FQK ALF 6.12245
30 2W8Q SIN 6.3655
31 5Z2F PDC 6.50888
32 1T0S BML 6.50888
33 1YTM OXD 7.09534
34 5MIT NAP 7.10059
35 5MIT FAD 7.10059
36 3I0O SMI 7.10059
37 6APL C5P 7.10059
38 3B8I OXL 7.10059
39 3DTU DXC 7.63359
40 4P6G 2FZ 7.9646
41 1M2X MCO 8.07175
42 1UA4 BGC 8.20399
43 1UA4 GLC 8.20399
44 4URX FK1 8.28402
45 2J5V PCA 8.28402
46 1KJ8 GAR 8.28402
47 6BVJ EAS 8.38323
48 6BVI EC4 8.38323
49 6BVL EBY 8.38323
50 1WQ1 AF3 8.43373
51 4XDY HIO 8.57988
52 2BES RES 8.72093
53 1RJW ETF 8.84956
54 2GDJ ANP 8.87574
55 2HIM ASP 8.87574
56 1C3V PDC 8.87574
57 5D63 FUC GAL GLA 8.87574
58 3CQ5 PMP 8.87574
59 5D63 FUC GLA GLA 8.87574
60 2J0B UDP 8.92857
61 2GBB CIT 8.97436
62 4V1F BQ1 9.30233
63 1V59 NAD 10.0592
64 3SAO DBH 10.625
65 6DWI HD4 10.6509
66 5W8X UDP 10.6509
67 1GXS BEZ 10.7595
68 1R6N 434 11.3744
69 1XX6 ADP 11.5183
70 1NBU PH2 11.7647
71 1VKF CIT 11.8343
72 3IHB GLU 11.8343
73 6C0B PAM 12.426
74 2D09 FLV 12.426
75 3F8D FAD 12.426
76 4IXH Q21 12.426
77 1OBD AMP 12.7451
78 1C3M MAN MAN 13.0435
79 3GDN HBX 13.6095
80 3GDN FAD 13.6095
81 5A1S FLC 13.6095
82 3CEV ARG 14.2012
83 3K5I AIR 15.3846
84 2HI4 BHF 15.3846
85 1NXJ TLA 15.847
86 5BWD FUM 16.6667
87 5T7I LAT NAG GAL 17.3913
88 4YLZ LAT NAG GAL 17.6471
89 1RV1 IMZ 17.6471
90 5O0J GLC 18.3432
91 3N7S 3N7 18.75
92 1DCP HBI 19.2308
93 6CI9 F3V 19.305
94 1ZEI CRS 22.6415
95 1HBK COA 23.5955
96 4XZ3 ACP 26.087
97 3CGD NAD 26.087
98 3CGD FAD 26.087
99 3CGD COA 26.087
100 3HYW DCQ 26.087
101 1ONX ASP 26.087
102 3PB9 1BN 26.087
103 1FQJ ALF 28.5714
104 1Q8Q MAN MMA 30.4348
105 1Q8V MAN MAN 30.4348
106 2GN3 MAN 30.4348
107 2GN3 MMA 30.4348
108 2GMM MAN MAN 30.4348
109 2AUY NAG MAN MMA 30.4348
110 2AR6 NAG MAN 30.4348
111 2GND MAN 30.4348
112 1VAY AZA 30.4348
113 1OLT SAM 30.4348
114 2PHT MAN MAN MAN 30.4348
115 3Q9T FAY 30.4348
116 1UKG MMA 30.4348
117 2AR6 NAG MAN MAN MAN NAG 30.4348
118 3G4Q MCH 30.4348
119 1XT8 CYS 30.4348
120 1MVQ MMA 34.7826
121 4YSX MLI 39.1304
122 5DNC ASN 47.3373
123 2W41 ADP 47.8261
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