Receptor
PDB id Resolution Class Description Source Keywords
1DS6 2.35 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF A RAC-RHOGDI COMPLEX HOMO SAPIENS BETA SANDWHICH PROTEIN-PROTEIN COMPLEX G-DOMAIN IMMUNOGLOBULIN FOLD WALKER FOLD GTP-BINDING PROTEIN SIGNALING PROTEIN
Ref.: THE RAC-RHOGDI COMPLEX AND THE STRUCTURAL BASIS FOR THE REGULATION OF RHO PROTEINS BY RHOGDI. NAT.STRUCT.BIOL. V. 7 122 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GDP A:194;
Valid;
none;
submit data
443.201 C10 H15 N5 O11 P2 c1nc2...
MG A:193;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1DS6 2.35 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF A RAC-RHOGDI COMPLEX HOMO SAPIENS BETA SANDWHICH PROTEIN-PROTEIN COMPLEX G-DOMAIN IMMUNOGLOBULIN FOLD WALKER FOLD GTP-BINDING PROTEIN SIGNALING PROTEIN
Ref.: THE RAC-RHOGDI COMPLEX AND THE STRUCTURAL BASIS FOR THE REGULATION OF RHO PROTEINS BY RHOGDI. NAT.STRUCT.BIOL. V. 7 122 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 286 families.
1 1DS6 - 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 209 families.
1 1DS6 - 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 174 families.
1 1DS6 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GDP; Similar ligands found: 161
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 9GM 0.839506 0.973684
6 GNP 0.839506 0.973684
7 G 0.828947 0.986486
8 5GP 0.828947 0.986486
9 G1R 0.82716 0.986667
10 GCP 0.82716 0.973684
11 GSP 0.817073 0.948718
12 GAV 0.797619 0.961039
13 GMV 0.792683 0.973684
14 G2P 0.77381 0.961039
15 G2R 0.770115 0.961039
16 GP2 0.756098 0.961039
17 GDC 0.747253 0.961039
18 GKE 0.747253 0.961039
19 GDD 0.747253 0.961039
20 GPG 0.741573 0.961039
21 G3D 0.732558 0.986486
22 ALF 5GP 0.729412 0.888889
23 Y9Z 0.728261 0.902439
24 G5P 0.723404 0.973684
25 GFB 0.72043 0.961039
26 GTG 0.72043 0.936709
27 GDR 0.72043 0.961039
28 G4P 0.715909 0.986486
29 G3A 0.712766 0.973684
30 6CK 0.712766 0.936709
31 GDP AF3 0.7 0.888889
32 ALF GDP 0.7 0.888889
33 GDP ALF 0.7 0.888889
34 YGP 0.698925 0.901235
35 GKD 0.697917 0.961039
36 JB2 0.697917 0.961039
37 GDX 0.690722 0.973684
38 GPD 0.690722 0.925
39 GMP 0.684211 0.88
40 0O2 0.666667 0.986486
41 JB3 0.656863 0.948718
42 NGD 0.650485 0.961039
43 DGI 0.636364 0.923077
44 GDP 7MG 0.636364 0.911392
45 U2G 0.634615 0.936709
46 GPX 0.634409 0.946667
47 G G 0.632653 0.948052
48 IDP 0.632184 0.972973
49 2MD 0.632075 0.891566
50 CAG 0.62963 0.880952
51 CG2 0.622642 0.936709
52 FEG 0.619048 0.879518
53 MGD 0.614679 0.891566
54 ZGP 0.613208 0.869048
55 GH3 0.612903 0.973333
56 3GP 0.611765 0.946667
57 MD1 0.607143 0.891566
58 PGD 0.59292 0.925
59 DGT 0.591398 0.923077
60 BGO 0.588785 0.924051
61 TPG 0.582609 0.840909
62 DBG 0.582609 0.948718
63 2GP 0.574713 0.96
64 FE9 0.570175 0.776596
65 GCP G 0.56 0.921053
66 A G 0.553571 0.935065
67 G A A A 0.553571 0.923077
68 MGP 0.553191 0.961039
69 U A G G 0.548673 0.935065
70 G4M 0.548387 0.880952
71 6G0 0.547368 0.961039
72 G1R G1R 0.542373 0.924051
73 P2G 0.527473 0.883117
74 PGD O 0.525 0.850575
75 ADP 0.522222 0.92
76 R5I 0.520833 0.946667
77 R7I 0.520833 0.946667
78 GGM 0.517544 0.901235
79 DGP 0.516484 0.910256
80 DG 0.516484 0.910256
81 P1G 0.516129 0.871795
82 G U 0.513274 0.9
83 G1G 0.508475 0.925
84 IMP 0.505495 0.959459
85 AKW 0.504425 0.890244
86 G C 0.504348 0.9
87 GPC 0.491525 0.879518
88 G7M 0.483871 0.948052
89 6AD 0.479592 0.841463
90 ATP 0.473684 0.92
91 HEJ 0.473684 0.92
92 G2Q 0.471154 0.961039
93 5FA 0.46875 0.92
94 AQP 0.46875 0.92
95 GTA 0.468468 0.936709
96 7DD 0.468085 0.906667
97 G G G RPC 0.466102 0.875
98 SGP 0.463158 0.82716
99 01G 0.462963 0.902439
100 HFD 0.459184 0.873418
101 B4P 0.457447 0.894737
102 AP5 0.457447 0.894737
103 A2D 0.456522 0.894737
104 6YZ 0.455446 0.896104
105 G G G C 0.455285 0.9125
106 5GP 5GP 0.454545 0.883117
107 ANP 0.454545 0.896104
108 ACQ 0.454545 0.896104
109 AT4 0.452632 0.884615
110 A G C C 0.451613 0.911392
111 APC G U 0.45082 0.886076
112 PRT 0.449541 0.959459
113 G U34 0.449153 0.888889
114 DG DG 0.448598 0.865854
115 ITT 0.447917 0.868421
116 BA3 0.446809 0.894737
117 C2E 0.444444 0.921053
118 PCG 0.444444 0.933333
119 35G 0.444444 0.933333
120 MGO 0.441176 0.864198
121 AN2 0.4375 0.907895
122 G C C C 0.4375 0.924051
123 M33 0.43299 0.883117
124 UCG 0.429688 0.911392
125 A G U 0.42963 0.888889
126 ACP 0.428571 0.896104
127 MGQ 0.424528 0.935897
128 AR6 0.424242 0.894737
129 7DT 0.424242 0.906667
130 APR 0.424242 0.894737
131 93A 0.42268 0.833333
132 A4P 0.420168 0.869048
133 G8D 0.42 0.875
134 AD9 0.42 0.896104
135 SAP 0.42 0.873418
136 AGS 0.42 0.873418
137 CA0 0.418367 0.896104
138 ATF 0.417476 0.884615
139 AGO 0.414634 0.888889
140 A G U U 0.414286 0.888889
141 NIA 0.413043 0.82716
142 MGV 0.412844 0.890244
143 TAT 0.411765 0.884615
144 T99 0.411765 0.884615
145 ADQ 0.411215 0.871795
146 A1R 0.411215 0.839506
147 RGT 0.410714 0.909091
148 CGP 0.409836 0.86747
149 C1Z 0.409091 0.986486
150 A 0.408602 0.893333
151 AMP 0.408602 0.893333
152 UP5 0.40678 0.873418
153 AMZ 0.406593 0.918919
154 C2R 0.406593 0.906667
155 JBT 0.405882 0.778947
156 A22 0.40566 0.907895
157 25L 0.405405 0.907895
158 ADX 0.40404 0.809524
159 8OD 0.401961 0.946667
160 50T 0.4 0.883117
161 4TC 0.4 0.851852
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1DS6; Ligand: GDP; Similar sites found with APoc: 91
This union binding pocket(no: 1) in the query (biounit: 1ds6.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3WYA GDP 5.55556
2 1WF3 GNP 6.11111
3 1TQ4 GDP 7.29167
4 2RCN GDP 7.77778
5 3U6B GDP 8.33333
6 4P3Y GDP 8.33333
7 2HCJ GDP 8.33333
8 4B47 GDP 8.33333
9 4G5G GDP 8.33333
10 1D8T GDP 8.33333
11 3U6K GDP 8.33333
12 5JBQ GDP 8.33333
13 5HCN GCP 9.375
14 5W7Q GDP 9.44444
15 2C78 GNP 9.44444
16 4DCT GDP 10.4167
17 1YRB GDP 11.4583
18 2X77 GDP 13.7566
19 1D2E GDP 13.8889
20 5FG3 GDP 14.5833
21 1SVI GDP 15
22 2QN6 GDP 15.1042
23 3DOE GTP 15.625
24 4J0Q GDP 15.625
25 1KSH GDP 16.129
26 5EE5 GTP 18.1287
27 1R4A GNP 19.3939
28 4YLG GDP 19.6532
29 1J2J GTP 19.8795
30 5KUT GDP 25.3968
31 1ZD9 GDP 29.2553
32 2G77 GDP 30.7292
33 3WYF GTP 32.2917
34 3GJ4 GDP 32.8125
35 3GJ7 GDP 32.8125
36 3GJ8 GDP 32.8125
37 3GJ5 GDP 32.8125
38 5SZH GNP 33.3333
39 5DIF GNP 33.3333
40 5UWP GNP 33.3333
41 5UWU GNP 33.3333
42 5UWO GNP 33.3333
43 5UWW GNP 33.3333
44 5UWQ GNP 33.3333
45 4HAT GNP 33.3333
46 6CIT GNP 33.3333
47 5UWH GNP 33.3333
48 5DHF GNP 33.3333
49 5UWT GNP 33.3333
50 5UWS GNP 33.3333
51 5YT0 GDP 33.3333
52 3GJ0 GDP 33.3333
53 3GJ3 GDP 33.3333
54 5BXQ GDP 33.3333
55 5OEC GDP 33.8798
56 3WYG GTP 34.0659
57 3SFV GDP 34.8066
58 5O74 GDP 35.5556
59 1WA5 GTP 36.3636
60 1Z2A GDP 37.5
61 3WY9 GDP 37.5
62 3BC1 GNP 38.0208
63 5XC5 GTP 38.0682
64 1MKY GDP 38.5417
65 1Z0J GTP 39.4118
66 2A5J GDP 39.7906
67 1YVD GNP 40.2367
68 3CPJ GDP 40.625
69 1OIX GDP 41.3613
70 1OIV GDP 41.8848
71 3RWO GDP 42.7027
72 1VG0 GDP 42.7083
73 2HT6 GDP 43.1034
74 2CJW GDP 43.75
75 1VG9 GDP 44.3243
76 1VG1 GDP 44.3243
77 3Q72 GNP 44.5783
78 5JCZ GDP 44.6927
79 2BCG GDP 45.3125
80 5TB5 GDP 45.4054
81 5TAR GDP 45.4054
82 1Z0A GDP 45.977
83 2EFE GNH 46.4088
84 2A9K GDP 46.5241
85 4DKX GDP 46.875
86 3T5G GDP 46.9613
87 3Q85 GNP 47.3373
88 1KY3 GDP 47.8022
89 1Z0F GDP 48.0447
90 1D5C GDP 49.3827
91 1UAD GNP 49.7143
APoc FAQ
Feedback