Receptor
PDB id Resolution Class Description Source Keywords
5EE5 2.28 Å NON-ENZYME: OTHER STRUCTURE OF HUMAN ARL1 IN COMPLEX WITH THE DCB DOMAIN OF BI HOMO SAPIENS ARF1-GEF ARL1-EFFECTOR TRANS-GOLGI DCB DOMAIN TRANSCRIPTION
Ref.: STRUCTURAL INSIGHTS INTO ARL1-MEDIATED TARGETING OF ARF-GEF BIG1 TO THE TRANS-GOLGI. CELL REP V. 16 839 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:302;
B:210;
B:211;
A:305;
A:304;
B:212;
A:303;
B:207;
B:208;
A:306;
A:301;
B:206;
B:209;
B:213;
Invalid;
Invalid;
Invalid;
Invalid;
Part of Protein;
Invalid;
Invalid;
Part of Protein;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
MG B:204;
B:205;
B:203;
B:202;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
GTP B:201;
Valid;
none;
submit data
523.18 C10 H16 N5 O14 P3 c1nc2...
CL A:313;
A:310;
A:312;
A:308;
A:311;
A:309;
B:215;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
GOL A:307;
B:214;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ACT B:216;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EE5 2.28 Å NON-ENZYME: OTHER STRUCTURE OF HUMAN ARL1 IN COMPLEX WITH THE DCB DOMAIN OF BI HOMO SAPIENS ARF1-GEF ARL1-EFFECTOR TRANS-GOLGI DCB DOMAIN TRANSCRIPTION
Ref.: STRUCTURAL INSIGHTS INTO ARL1-MEDIATED TARGETING OF ARF-GEF BIG1 TO THE TRANS-GOLGI. CELL REP V. 16 839 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 5EE5 - 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 5EE5 - 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 5EE5 - 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 : 5EE5; Ligand: GTP; Similar sites found with APoc: 139
This union binding pocket(no: 1) in the query (biounit: 5ee5.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 3EC1 GDP 2.8169
2 2RCN GDP 2.92398
3 1RYH GNP 2.95567
4 3DDC GNP 3.01205
5 2UZI GTP 5.26316
6 4B47 GDP 6.43275
7 3Q72 GNP 6.62651
8 1LFD GNP 6.89655
9 2CJW GDP 7.01754
10 1YRB GDP 7.01754
11 3MD0 GDP 7.01754
12 3Q85 GNP 7.10059
13 2FFQ GSP 8.18713
14 1SKQ GDP 8.18713
15 6BVJ GNP 8.4507
16 6D5E GNP 8.4507
17 6D5J GNP 8.4507
18 6BVK GNP 8.4507
19 6D5H GNP 8.4507
20 6D5G GNP 8.4507
21 1NVV GNP 8.4507
22 6D5L GNP 8.4507
23 6D55 GNP 8.4507
24 6BVL GNP 8.4507
25 6BVI GNP 8.4507
26 6D59 GNP 8.4507
27 6D56 GNP 8.4507
28 6BVM GNP 8.4507
29 6D5V GNP 8.4507
30 6D5M GNP 8.4507
31 2C5L GTP 8.54701
32 2C77 GNP 9.35672
33 2C78 GNP 9.35672
34 2AWN ADP 9.35672
35 2HT6 GDP 9.77011
36 2HCJ GDP 9.85915
37 1D8T GDP 9.85915
38 2BVN GNP 9.85915
39 5FG3 GDP 9.94152
40 2QN6 GDP 9.94152
41 4RD0 GDP 9.94152
42 1KK1 GNP 10.3286
43 6G14 G4P 10.5263
44 2W2X GSP 12.8655
45 4LC1 GDP 14.5401
46 5M04 GDP 15.7895
47 2WKQ GTP 16.3743
48 5WLB GNP 16.9591
49 5TB5 GDP 16.9591
50 5TAR GDP 16.9591
51 5OCG GNP 16.9591
52 4NCN GTP 17.5439
53 6FA4 GNP 17.5439
54 1DS6 GDP 18.1287
55 4U5X GNP 18.1287
56 1I4D GDP 18.1287
57 2FJU GSP 18.1287
58 1E96 GTP 18.7134
59 5UPK GNP 18.75
60 1YZQ GNP 18.8235
61 4HDO GNP 19.7183
62 3T5G GDP 19.883
63 2XTZ GSP 19.883
64 4C4P GNP 20.4678
65 1GUA GNP 20.9877
66 2HV8 GTP 21.0526
67 1OIX GDP 21.0526
68 2D7C GTP 21.5569
69 1CXZ GSP 22.807
70 4D0N GDP 22.807
71 6AU6 GDP 22.807
72 1KMQ GNP 23.3918
73 1TAD GDP 25.1462
74 1TAD ALF 25.1462
75 1M7B GTP 25.1462
76 2GCO GNP 25.731
77 1GWN GTP 25.731
78 1FQJ ALF 26.3158
79 1FQK ALF 26.3158
80 1BH2 GSP 26.9006
81 2WIC GNP 26.9006
82 5XC5 GTP 27.4854
83 5YT0 GDP 28.5714
84 5UWQ GNP 28.692
85 5UWP GNP 28.692
86 5UWO GNP 28.692
87 5UWS GNP 28.692
88 6CIT GNP 28.692
89 5UWU GNP 28.692
90 5UWR GNP 28.692
91 5UWW GNP 28.692
92 5UWJ GNP 28.692
93 5UWT GNP 28.692
94 5UWI GNP 28.692
95 5UWH GNP 28.692
96 5DIF GNP 28.692
97 5DI9 GNP 28.692
98 1D5C GDP 30.2469
99 1TU3 GNP 30.4094
100 3T12 GDP ALF 30.4094
101 1R2Q GNP 30.5882
102 3MJH GTP 31.5476
103 5CK5 GDP 31.5789
104 5DHF GNP 31.5789
105 1NRJ GTP 33.9181
106 2FH5 GTP 34.5029
107 1YVD GNP 37.2781
108 4HAT GNP 37.4269
109 1VG1 GDP 37.4269
110 3CH5 GDP 37.4269
111 5BXQ GDP 37.4269
112 1WA5 GTP 37.4269
113 1VG9 GDP 37.4269
114 1VG8 GNP 37.4269
115 1VG0 GDP 37.4269
116 1IBR GNP 37.4269
117 1Z0J GTP 37.6471
118 2BME GNP 38.5965
119 2WJG GDP 38.5965
120 3GJ5 GDP 39.1813
121 3GJ3 GDP 39.1813
122 3GJ0 GDP 39.1813
123 3GJ7 GDP 39.1813
124 3GJ4 GDP 39.1813
125 1Z0K GTP 39.1813
126 3M1I GTP 39.7661
127 1Z0A GDP 39.7661
128 1EK0 GNP 40.5882
129 1S8F GDP 41.5205
130 1KY3 GDP 41.5205
131 3RAB GNP 44.3787
132 5O74 GDP 44.4444
133 3QBT GNP 44.4444
134 4DCT GDP 44.4444
135 2G77 GDP 45.0292
136 1YZN GNP 45.0292
137 3BC1 GNP 47.3684
138 1Z06 GNP 47.3684
139 1F6B GDP 48.538
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