Receptor
PDB id Resolution Class Description Source Keywords
1GRN 2.1 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF THE CDC42/CDC42GAP/ALF3 COMPLEX. HOMO SAPIENS TRANSITION-STATE G-PROTEIN CDC42 GAP ALF3 GENE REGULATION
Ref.: STRUCTURES OF CDC42 BOUND TO THE ACTIVE AND CATALYTICALLY COMPROMISED FORMS OF CDC42GAP. NAT.STRUCT.BIOL. V. 5 1047 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AF3 A:200;
Valid;
none;
submit data
83.977 Al F3 F[Al]...
GDP A:198;
Valid;
none;
submit data
443.201 C10 H15 N5 O11 P2 c1nc2...
MG A:199;
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
1GRN 2.1 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF THE CDC42/CDC42GAP/ALF3 COMPLEX. HOMO SAPIENS TRANSITION-STATE G-PROTEIN CDC42 GAP ALF3 GENE REGULATION
Ref.: STRUCTURES OF CDC42 BOUND TO THE ACTIVE AND CATALYTICALLY COMPROMISED FORMS OF CDC42GAP. NAT.STRUCT.BIOL. V. 5 1047 1998
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 283 families.
1 1GRN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 235 families.
1 2NGR - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 1GRN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 193 families.
1 1TX4 - ALF GDP n/a n/a
2 1GRN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AF3; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AF3 1 1
Ligand no: 2; Ligand: GDP; Similar ligands found: 168
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 9GM 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 GKE 0.747253 0.961039
18 GDD 0.747253 0.961039
19 GDC 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 GDR 0.72043 0.961039
26 GFB 0.72043 0.961039
27 GTG 0.72043 0.936709
28 G4P 0.715909 0.986486
29 6CK 0.712766 0.936709
30 G3A 0.712766 0.973684
31 GDP AF3 0.7 0.888889
32 GDP ALF 0.7 0.888889
33 ALF GDP 0.7 0.888889
34 YGP 0.698925 0.901235
35 JB2 0.697917 0.961039
36 GKD 0.697917 0.961039
37 GPD 0.690722 0.925
38 GDX 0.690722 0.973684
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 GDP 7MG 0.636364 0.911392
44 DGI 0.636364 0.923077
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 KB7 0.629214 0.82716
52 CG2 0.622642 0.936709
53 FEG 0.619048 0.879518
54 MGD 0.614679 0.891566
55 ZGP 0.613208 0.869048
56 GH3 0.612903 0.973333
57 3GP 0.611765 0.946667
58 MD1 0.607143 0.891566
59 PGD 0.59292 0.925
60 DGT 0.591398 0.923077
61 BGO 0.588785 0.924051
62 TPG 0.582609 0.840909
63 DBG 0.582609 0.948718
64 KBD 0.581633 0.82716
65 2GP 0.574713 0.96
66 FE9 0.570175 0.776596
67 GCP G 0.56 0.921053
68 KBJ 0.558824 0.797619
69 G A A A 0.553571 0.923077
70 A G 0.553571 0.935065
71 MGP 0.553191 0.961039
72 U A G G 0.548673 0.935065
73 G4M 0.548387 0.880952
74 6G0 0.547368 0.961039
75 G1R G1R 0.542373 0.924051
76 P2G 0.527473 0.883117
77 PGD O 0.525 0.850575
78 ADP 0.522222 0.92
79 R5I 0.520833 0.946667
80 R7I 0.520833 0.946667
81 GGM 0.517544 0.901235
82 DGP 0.516484 0.910256
83 DG 0.516484 0.910256
84 P1G 0.516129 0.871795
85 G U 0.513274 0.9
86 G1G 0.508475 0.925
87 IMP 0.505495 0.959459
88 AKW 0.504425 0.890244
89 G C 0.504348 0.9
90 GPC 0.491525 0.879518
91 G7M 0.483871 0.948052
92 6AD 0.479592 0.841463
93 ATP 0.473684 0.92
94 HEJ 0.473684 0.92
95 G2Q 0.471154 0.961039
96 AQP 0.46875 0.92
97 5FA 0.46875 0.92
98 GTA 0.468468 0.936709
99 7DD 0.468085 0.906667
100 G G G RPC 0.466102 0.875
101 SGP 0.463158 0.82716
102 01G 0.462963 0.902439
103 JSQ 0.459184 0.873418
104 HFD 0.459184 0.873418
105 AP5 0.457447 0.894737
106 B4P 0.457447 0.894737
107 A2D 0.456522 0.894737
108 6YZ 0.455446 0.896104
109 G G G C 0.455285 0.9125
110 ANP 0.454545 0.896104
111 5GP 5GP 0.454545 0.883117
112 ACQ 0.454545 0.896104
113 AT4 0.452632 0.884615
114 A G C C 0.451613 0.911392
115 APC G U 0.45082 0.886076
116 PRT 0.449541 0.959459
117 G U34 0.449153 0.888889
118 DG DG 0.448598 0.865854
119 ITT 0.447917 0.868421
120 BA3 0.446809 0.894737
121 35G 0.444444 0.933333
122 PCG 0.444444 0.933333
123 C2E 0.444444 0.921053
124 MGO 0.441176 0.864198
125 AN2 0.4375 0.907895
126 G C C C 0.4375 0.924051
127 NO7 0.436893 0.860759
128 M33 0.43299 0.883117
129 UCG 0.429688 0.911392
130 A G U 0.42963 0.888889
131 ACP 0.428571 0.896104
132 MGQ 0.424528 0.935897
133 7DT 0.424242 0.906667
134 APR 0.424242 0.894737
135 AR6 0.424242 0.894737
136 93A 0.42268 0.833333
137 A4P 0.420168 0.869048
138 AGS 0.42 0.873418
139 AD9 0.42 0.896104
140 G8D 0.42 0.875
141 SAP 0.42 0.873418
142 CA0 0.418367 0.896104
143 ATF 0.417476 0.884615
144 AGO 0.414634 0.888889
145 A G U U 0.414286 0.888889
146 KG4 0.414141 0.896104
147 NIA 0.413043 0.82716
148 MGV 0.412844 0.890244
149 T99 0.411765 0.884615
150 TAT 0.411765 0.884615
151 A1R 0.411215 0.839506
152 ADQ 0.411215 0.871795
153 RGT 0.410714 0.909091
154 CGP 0.409836 0.86747
155 HQG 0.409524 0.907895
156 C1Z 0.409091 0.986486
157 AMP 0.408602 0.893333
158 A 0.408602 0.893333
159 UP5 0.40678 0.873418
160 C2R 0.406593 0.906667
161 AMZ 0.406593 0.918919
162 JBT 0.405882 0.778947
163 A22 0.40566 0.907895
164 25L 0.405405 0.907895
165 ADX 0.40404 0.809524
166 8OD 0.401961 0.946667
167 4TC 0.4 0.851852
168 50T 0.4 0.883117
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GRN; Ligand: AF3; Similar sites found with APoc: 52
This union binding pocket(no: 1) in the query (biounit: 1grn.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3MJH GTP None
2 3MJH GTP None
3 6IYB GTP 34.555
4 4LX0 BEF GDP 35.0282
5 3WYF GTP 35.0785
6 3WYF GTP 35.0785
7 3GJX GTP 35.0785
8 3M1I GTP 35.0785
9 5UWS GNP 35.6021
10 4HAT GNP 35.6021
11 5UWP GNP 35.6021
12 5UWU GNP 35.6021
13 5UWI GNP 35.6021
14 5UWJ GNP 35.6021
15 5UWT GNP 35.6021
16 5UWQ GNP 35.6021
17 5UWW GNP 35.6021
18 5UWR GNP 35.6021
19 5DIF GNP 35.6021
20 5UWH GNP 35.6021
21 5UWO GNP 35.6021
22 5DHF GNP 35.6021
23 6CIT GNP 35.6021
24 1VG8 GNP 35.6021
25 1VG8 GNP 35.6021
26 1VG8 GNP 35.6021
27 1VG8 GNP 35.6021
28 3WYG GTP 36.8132
29 5Z2M GTP 38.0682
30 1WA5 GTP 38.6364
31 5SZH GNP 43.9791
32 2BME GNP 44.086
33 1UAD GNP 46.2857
34 5WDR GNP 46.7836
35 5WDR GNP 46.7836
36 1YZN GNP 47.5676
37 1EK0 GNP 47.6471
38 3X1Z GNP 48.503
39 4HDO GNP 48.503
40 1GUA GNP 48.503
41 6FA3 GNP 49.4186
42 6FA3 GNP 49.4186
43 6FA3 GNP 49.4186
44 6FA3 GNP 49.4186
45 6FA3 GNP 49.4186
46 6FA3 GNP 49.4186
47 3QBT GNP 49.4253
48 4LHW GNP 49.4253
49 3QBT GNP 49.4253
50 3QBT GNP 49.4253
51 3QBT GNP 49.4253
52 4LHW GNP 49.4253
Pocket No.: 2; Query (leader) PDB : 1GRN; Ligand: GDP; Similar sites found with APoc: 135
This union binding pocket(no: 2) in the query (biounit: 1grn.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 3MJH GTP None
2 3MJH GTP None
3 2FH5 GTP 5.2356
4 2FH5 GTP 5.2356
5 6HDU GTP 27.1739
6 6HDU GTP 27.1739
7 6HDU GTP 27.1739
8 6HDU GTP 27.1739
9 1Z06 GNP 31.2169
10 1OIX GDP 31.9372
11 1OIV GDP 32.4607
12 6IYB GTP 34.555
13 6IYB GTP 34.555
14 5JCZ GDP 34.6369
15 3E5H GNP 34.8315
16 3E5H GNP 34.8315
17 4LX0 BEF GDP 35.0282
18 3GJX GTP 35.0785
19 3M1I GTP 35.0785
20 3WYF GTP 35.0785
21 3WYF GTP 35.0785
22 5UWU GNP 35.6021
23 4HAT GNP 35.6021
24 5UWO GNP 35.6021
25 5UWQ GNP 35.6021
26 5UWP GNP 35.6021
27 5DIF GNP 35.6021
28 5UWI GNP 35.6021
29 6CIT GNP 35.6021
30 5UWW GNP 35.6021
31 5UWJ GNP 35.6021
32 5UWR GNP 35.6021
33 5DHF GNP 35.6021
34 5UWH GNP 35.6021
35 5UWT GNP 35.6021
36 5UWS GNP 35.6021
37 1VG8 GNP 35.6021
38 1VG8 GNP 35.6021
39 1VG8 GNP 35.6021
40 1VG8 GNP 35.6021
41 1VG0 GDP 35.6021
42 4C4P GNP 35.8382
43 6FF8 GTP 36.4641
44 6FF8 GTP 36.4641
45 3WYG GTP 36.8132
46 5Z2M GTP 38.0682
47 5Z2M GTP 38.0682
48 1WA5 GTP 38.6364
49 1KAO GDP 39.521
50 2A5J GDP 39.7906
51 3BC1 GNP 40.3141
52 3BC1 GNP 40.3141
53 3RWO GDP 42.7027
54 3RWO GDP 42.7027
55 3TKL GTP 42.9319
56 1TU3 GNP 43.2749
57 1TU3 GNP 43.2749
58 1TU3 GNP 43.2749
59 1TU3 GNP 43.2749
60 1TU3 GNP 43.2749
61 2A9K GDP 43.3155
62 1Z0K GTP 43.6047
63 1Z0K GTP 43.6047
64 5SZH GNP 43.9791
65 2EW1 GNP 43.9791
66 2BME GNP 44.086
67 2BME GNP 44.086
68 2BME GNP 44.086
69 2BME GNP 44.086
70 3SFV GDP 44.7514
71 1X1R GDP 44.9438
72 5UQW GDP 44.9735
73 5UQW GDP 44.9735
74 1ZC3 GNP 45.7143
75 1ZC3 GNP 45.7143
76 5TAR GDP 45.9459
77 5TB5 GDP 45.9459
78 5TB5 GDP 45.9459
79 2BCG GDP 46.0733
80 1UAD GNP 46.2857
81 1UAD GNP 46.2857
82 5WDR GNP 46.7836
83 5WDR GNP 46.7836
84 1Z0J GTP 47.0588
85 5LEF GTP 47.1204
86 5LEF GTP 47.1204
87 1D5C GDP 47.5309
88 1YZN GNP 47.5676
89 1EK0 GNP 47.6471
90 1YVD GNP 47.929
91 3NKV GNP 48
92 3NKV GNP 48
93 4D0G GTP 48
94 4KVG GTP 48.2143
95 4KVG GTP 48.2143
96 6BSX E7S 48.3146
97 6BSX GDP 48.3146
98 6BSX GDP 48.3146
99 6BSX E7S 48.3146
100 6BSX GDP 48.3146
101 6BSX E7S 48.3146
102 6BSX GDP 48.3146
103 3X1Z GNP 48.503
104 4HDO GNP 48.503
105 4HDQ GNP 48.503
106 1GUA GNP 48.503
107 3X1Z GNP 48.503
108 2C5L GTP 48.5549
109 2C5L GTP 48.5549
110 2Y8E GNP 48.6034
111 2Y8E GNP 48.6034
112 2Y8E GNP 48.6034
113 2Y8E GNP 48.6034
114 6IF2 GTP 48.9247
115 6IF3 GTP 48.9247
116 4K81 GTP 49.1228
117 4K81 GTP 49.1228
118 4K81 GTP 49.1228
119 4K81 GTP 49.1228
120 6FA3 GNP 49.4186
121 6FA3 GNP 49.4186
122 6FA3 GNP 49.4186
123 6FA3 GNP 49.4186
124 6FA3 GNP 49.4186
125 6FA3 GNP 49.4186
126 4LHW GNP 49.4253
127 4LHW GNP 49.4253
128 3QBT GNP 49.4253
129 3QBT GNP 49.4253
130 3QBT GNP 49.4253
131 3QBT GNP 49.4253
132 3TNF GNP 49.4253
133 4LHW GNP 49.4253
134 4LHW GNP 49.4253
135 4LHW GNP 49.4253
136 1U8Z GDP 50
137 1U8Z GDP 50
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