Receptor
PDB id Resolution Class Description Source Keywords
3A1S 1.5 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTUE OF THE CYTOSOLIC DOMAIN OF T. MARITIMA FEOB IRON IRANSPORTER IN GDP FORM I THERMOTOGA MARITIMA FEOB IRON TRANSPORTER SMALL GTPASE G PROTEIN GDI TRANSPORT PROTEIN
Ref.: STRUCTURAL BASIS OF NOVEL INTERACTIONS BETWEEN THE SMALL-GTPASE AND GDI-LIKE DOMAINS IN PROKARYOTIC FEOB IRON TRANSPORTER STRUCTURE V. 17 1345 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GDP A:1;
B:2;
Valid;
Valid;
none;
none;
Kd = 14.8 uM
443.201 C10 H15 N5 O11 P2 c1nc2...
MG A:3;
A:4;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
MPD A:6;
B:7;
Invalid;
Invalid;
none;
none;
submit data
118.174 C6 H14 O2 C[C@@...
MRD A:5;
Invalid;
none;
submit data
118.174 C6 H14 O2 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3A1S 1.5 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTUE OF THE CYTOSOLIC DOMAIN OF T. MARITIMA FEOB IRON IRANSPORTER IN GDP FORM I THERMOTOGA MARITIMA FEOB IRON TRANSPORTER SMALL GTPASE G PROTEIN GDI TRANSPORT PROTEIN
Ref.: STRUCTURAL BASIS OF NOVEL INTERACTIONS BETWEEN THE SMALL-GTPASE AND GDI-LIKE DOMAINS IN PROKARYOTIC FEOB IRON TRANSPORTER STRUCTURE V. 17 1345 2009
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 3A1S Kd = 14.8 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 3A1U - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
3 3A1T Kd = 14.8 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 3A1S Kd = 14.8 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 3A1U - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
3 3A1T Kd = 14.8 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 3LX5 - AGO C18 H22 N7 O14 P3 CNc1ccccc1....
2 2WIC - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
3 4R98 - GNH C10 H16 N6 O10 P2 c1nc2c(n1[....
4 3A1S Kd = 14.8 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 3A1U - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GDP; Similar ligands found: 153
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 G 0.828947 0.986486
7 5GP 0.828947 0.986486
8 G1R 0.82716 0.986667
9 GCP 0.82716 0.973684
10 GSP 0.817073 0.948718
11 GAV 0.797619 0.961039
12 GMV 0.792683 0.973684
13 G2P 0.77381 0.961039
14 G2R 0.770115 0.961039
15 GDP MG 0.759036 0.923077
16 GP2 0.756098 0.961039
17 GDP BEF 0.75 0.9
18 GDD 0.747253 0.961039
19 GKE 0.747253 0.961039
20 GDC 0.747253 0.961039
21 GPG 0.741573 0.961039
22 G3D 0.732558 0.986486
23 ALF 5GP 0.729412 0.888889
24 Y9Z 0.728261 0.902439
25 GTP MG 0.724138 0.923077
26 BEF GDP 0.724138 0.888889
27 G5P 0.723404 0.973684
28 GFB 0.72043 0.961039
29 GTG 0.72043 0.936709
30 GDR 0.72043 0.961039
31 G4P 0.715909 0.986486
32 GCP G 0.715909 0.935065
33 6CK 0.712766 0.936709
34 G3A 0.712766 0.973684
35 GDP ALF 0.7 0.888889
36 GDP AF3 0.7 0.888889
37 YGP 0.698925 0.901235
38 JB2 0.697917 0.961039
39 GKD 0.697917 0.961039
40 GDX 0.690722 0.973684
41 GPD 0.690722 0.925
42 GMP 0.684211 0.88
43 0O2 0.666667 0.986486
44 G G 0.659574 0.935065
45 JB3 0.656863 0.948718
46 NGD 0.650485 0.961039
47 GDP 7MG 0.636364 0.911392
48 DGI 0.636364 0.923077
49 U2G 0.634615 0.936709
50 GPX 0.634409 0.946667
51 IDP 0.632184 0.972973
52 2MD 0.632075 0.891566
53 CAG 0.62963 0.880952
54 CG2 0.622642 0.936709
55 FEG 0.619048 0.879518
56 MGD 0.614679 0.891566
57 ZGP 0.613208 0.869048
58 GH3 0.612903 0.973333
59 3GP 0.611765 0.946667
60 MD1 0.607143 0.891566
61 PGD 0.59292 0.925
62 DGT 0.591398 0.923077
63 BGO 0.588785 0.924051
64 TPG 0.582609 0.840909
65 DBG 0.582609 0.948718
66 2GP 0.574713 0.96
67 FE9 0.570175 0.776596
68 I2C FE2 CMO CMO 0.566372 0.808989
69 G A A A 0.553571 0.923077
70 MGP 0.553191 0.961039
71 U A G G 0.548673 0.935065
72 G4M 0.548387 0.880952
73 6G0 0.547368 0.961039
74 G1R G1R 0.542373 0.924051
75 P2G 0.527473 0.883117
76 PGD O 0.525 0.850575
77 ADP 0.522222 0.92
78 GGM 0.517544 0.901235
79 DG 0.516484 0.910256
80 DGP 0.516484 0.910256
81 P1G 0.516129 0.871795
82 G G U 0.509259 0.935065
83 G1G 0.508475 0.925
84 IMP 0.505495 0.959459
85 G C 0.504348 0.9
86 GPC 0.491525 0.879518
87 G7M 0.483871 0.948052
88 6AD 0.479592 0.841463
89 ATP 0.473684 0.92
90 G2Q 0.471154 0.961039
91 U G A 0.469697 0.888889
92 5FA 0.46875 0.92
93 AQP 0.46875 0.92
94 GTA 0.468468 0.936709
95 7DD 0.468085 0.906667
96 G G G RPC 0.466102 0.875
97 SGP 0.463158 0.82716
98 01G 0.462963 0.902439
99 B4P 0.457447 0.894737
100 AP5 0.457447 0.894737
101 A2D 0.456522 0.894737
102 G G G C 0.455285 0.9125
103 ACQ 0.454545 0.896104
104 5GP 5GP 0.454545 0.883117
105 ANP 0.454545 0.896104
106 A G C C 0.451613 0.911392
107 APC G U 0.45082 0.886076
108 G U34 0.449153 0.888889
109 DG DG 0.448598 0.865854
110 ITT 0.447917 0.868421
111 BA3 0.446809 0.894737
112 35G 0.444444 0.933333
113 C2E 0.444444 0.921053
114 PCG 0.444444 0.933333
115 MGO 0.441176 0.864198
116 AN2 0.4375 0.907895
117 G C C C 0.4375 0.924051
118 M33 0.43299 0.883117
119 UCG 0.429688 0.911392
120 A G U 0.42963 0.888889
121 ACP 0.428571 0.896104
122 MGQ 0.424528 0.935897
123 7DT 0.424242 0.906667
124 APR 0.424242 0.894737
125 AR6 0.424242 0.894737
126 93A 0.42268 0.833333
127 A4P 0.420168 0.869048
128 SAP 0.42 0.873418
129 AD9 0.42 0.896104
130 AGS 0.42 0.873418
131 G8D 0.42 0.875
132 CA0 0.418367 0.896104
133 ATF 0.417476 0.884615
134 AGO 0.414634 0.888889
135 NIA 0.413043 0.82716
136 MGV 0.412844 0.890244
137 TAT 0.411765 0.884615
138 A1R 0.411215 0.839506
139 ADQ 0.411215 0.871795
140 RGT 0.410714 0.909091
141 CGP 0.409836 0.86747
142 AMP 0.408602 0.893333
143 A 0.408602 0.893333
144 UP5 0.40678 0.873418
145 C2R 0.406593 0.906667
146 AMZ 0.406593 0.918919
147 JBT 0.405882 0.778947
148 A22 0.40566 0.907895
149 25L 0.405405 0.907895
150 ADX 0.40404 0.809524
151 8OD 0.401961 0.946667
152 4TC 0.4 0.851852
153 50T 0.4 0.883117
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3A1S; Ligand: GDP; Similar sites found: 542
This union binding pocket(no: 1) in the query (biounit: 3a1s.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5KUT GDP 0.000000007125 0.68103 None
2 2XTN GTP 0.000000149 0.64368 None
3 2HT6 GDP 0.000000108 0.60576 None
4 4BAS GNP 0.000001611 0.59169 None
5 1CJW COT 0.01525 0.41141 None
6 1KUV CA5 0.02309 0.40618 None
7 5XDR ADP 0.001059 0.44423 1.55039
8 4V03 ADP 0.0002813 0.46024 1.55642
9 3RWO GDP 0.0000005725 0.62085 1.62162
10 1X1R GDP 0.0000001568 0.65051 1.68539
11 4TMK T5A 0.01208 0.4214 1.87793
12 2J0V GDP 0.00000003668 0.64845 1.88679
13 5HCN GCP 0.000000003849 0.69328 1.93798
14 5JCP GDP ALF 0.0000002125 0.56776 1.93798
15 4PFO ADP 0.0006698 0.47287 1.93798
16 2O0J ADP 0.0002991 0.44834 1.93798
17 1OYY AGS 0.007226 0.40267 1.93798
18 2CBZ ATP 0.000004716 0.59638 2.1097
19 2CHG ANP 0.00007956 0.50404 2.21239
20 4AG5 ADP 0.0000193 0.55332 2.32558
21 4GOX A3P 0.0001513 0.50006 2.32558
22 4RZ3 ADP 0.0002047 0.48486 2.32558
23 1NST A3P 0.0007623 0.45818 2.32558
24 3FVQ ATP 0.001028 0.45639 2.32558
25 3E1T FAD 0.03127 0.41115 2.32558
26 1YAG ATP 0.04244 0.40876 2.4
27 3DKP ADP 0.0008876 0.44142 2.44898
28 3SBD GNP 0.00000004119 0.52659 2.6738
29 5I0H ADP BEF 0.00008218 0.50826 2.71318
30 3IO3 ADP 0.00009315 0.50332 2.71318
31 2IS6 ADP 0.0001417 0.47461 2.71318
32 5GVR LMR 0.001002 0.46801 2.71318
33 3TBK ANP 0.0005639 0.43915 2.71318
34 1R0X ATP 0.0006979 0.43369 2.71318
35 1Q20 PLO 0.0136 0.41882 2.71318
36 4PJ3 ANP 0.003253 0.40816 2.71318
37 4ITM ATP 0.01744 0.40441 2.71318
38 1B8U NAD 0.01405 0.40427 2.71318
39 1B8U OAA 0.02661 0.40422 2.71318
40 5MDH NAD 0.02374 0.40193 2.71318
41 5J1J ANP 0.00005171 0.43877 2.80702
42 1TQ4 GDP 0.000000003582 0.60803 3.10078
43 1GOJ ADP 0.00001002 0.57518 3.10078
44 2DPY ADP 0.000007831 0.56661 3.10078
45 3P4X ADP 0.00005831 0.48378 3.10078
46 1XMV ADP 0.0001467 0.48353 3.10078
47 1T5C ADP 0.000004937 0.46853 3.10078
48 4FRZ ADP 0.00003837 0.4669 3.10078
49 1G3M PCQ 0.0126 0.42592 3.10078
50 4YS0 ADP 0.002299 0.40928 3.10078
51 1GRN GDP 0.00000004485 0.65583 3.14136
52 2NGR GDP 0.00000002987 0.65254 3.14136
53 4ITR GDP 0.0000001251 0.6383 3.14136
54 2WMO GTP 0.00000003673 0.65245 3.15789
55 1MH1 GNP 0.0000001087 0.50526 3.22581
56 4KFU ACP 0.00002159 0.47811 3.30189
57 4YC7 GNP 0.00000006212 0.65889 3.31492
58 4R2I ANP 0.0003256 0.4864 3.33333
59 3B7G ANP 0.0004691 0.46042 3.47826
60 2XTZ GSP 0.000003359 0.58379 3.48837
61 2WKQ GTP 0.00000003417 0.54896 3.48837
62 2QZ4 ADP 0.00004325 0.51084 3.48837
63 2ZPA ADP 0.0001144 0.49913 3.48837
64 4ZNL BEF ADP 0.00007026 0.49817 3.48837
65 5TSH ANP 0.00007536 0.48668 3.48837
66 5TSH ADP 0.00001175 0.48379 3.48837
67 1P9B GDP 0.0002502 0.48079 3.48837
68 2C04 GCP 0.00005098 0.47709 3.48837
69 4OHY ANP 0.000008986 0.44806 3.48837
70 1VKJ A3P 0.004216 0.42738 3.48837
71 2WOJ ADP ALF 0.00003367 0.42091 3.48837
72 3ZS9 ADP ALF 0.00004236 0.41867 3.48837
73 4A4Z ANP 0.005335 0.40634 3.48837
74 3IUY AMP 0.005813 0.40566 3.48837
75 5G41 AP5 0.001292 0.48243 3.58744
76 1NJF ADP 0.00008413 0.5054 3.6
77 1NJF AGS 0.0001229 0.50222 3.6
78 4P32 ADP 0.0009462 0.4601 3.61446
79 3VX3 ADP 0.0002304 0.48484 3.62903
80 1ZIN AP5 0.0005801 0.49466 3.68664
81 1S3G AP5 0.001071 0.48118 3.68664
82 4MKG AP5 0.001494 0.47387 3.68664
83 3FB4 AP5 0.001354 0.47604 3.7037
84 4LPS GDP 0.0000002425 0.61089 3.71901
85 1G3Q ADP 0.0004518 0.46116 3.79747
86 2ORV 4TA 0.006223 0.42612 3.84615
87 2F3R G5P 0.02893 0.40127 3.86473
88 2FJU GSP 0.00000002295 0.67626 3.87597
89 1BH2 GSP 0.000001785 0.60367 3.87597
90 1Y3A GDP 0.000003984 0.57551 3.87597
91 2NCD ADP 0.00003726 0.53887 3.87597
92 3FWY ADP 0.00001601 0.53657 3.87597
93 3NHB ADP 0.0000652 0.52721 3.87597
94 3A4M ADP 0.000004761 0.51666 3.87597
95 4HSE ADP 0.00004069 0.50904 3.87597
96 2OM2 GDP 0.000002548 0.50774 3.87597
97 2FAH GDP 0.000133 0.49104 3.87597
98 4PX9 ADP 0.0002691 0.48374 3.87597
99 4IHQ ADP 0.00006061 0.48184 3.87597
100 4IOK ADP 0.0006334 0.47745 3.87597
101 4IOK XPO 0.0005393 0.47558 3.87597
102 3BOS CDP 0.0001602 0.47274 3.87597
103 3LRE ADP 0.000005141 0.46913 3.87597
104 4GBM A3P 0.001026 0.46034 3.87597
105 4WEI GLC GAL 0.002109 0.45295 3.87597
106 4XGU ADP 0.000181 0.45127 3.87597
107 1AQU A3P 0.005263 0.41893 3.87597
108 4W93 3L9 0.016 0.4153 3.87597
109 3RC3 ANP 0.00461 0.40342 3.87597
110 2IL4 COA 0.005169 0.4172 3.8835
111 2BEK ATP 0.0002287 0.42204 3.89105
112 1W7J ADP BEF 0.0007149 0.4236 3.97351
113 4WOP CTP 0.0001207 0.43848 4
114 5WDR GNP 0.0000001091 0.65814 4.09357
115 1ION ADP 0.0008147 0.45204 4.11523
116 1EK0 GNP 0.000000117 0.65412 4.11765
117 1GP2 GDP 0.000004297 0.48222 4.22535
118 1IHU ADP 0.0000325 0.53196 4.26357
119 1IHU AF3 0.0000291 0.53196 4.26357
120 4LYA ATP 0.00001818 0.52506 4.26357
121 3BFV ADP 0.0001279 0.49258 4.26357
122 5IRR GSP 0.00000491 0.48761 4.26357
123 1BG2 ADP 0.0000036 0.47397 4.26357
124 3FKQ ATP 0.00005303 0.47019 4.26357
125 2IXE ATP 0.001204 0.45511 4.26357
126 1J78 OLA 0.009227 0.41863 4.26357
127 4JLV ADP 0.002846 0.41308 4.26357
128 1M7G ADP 0.0003002 0.49492 4.2654
129 1M7G ADX 0.0003919 0.49242 4.2654
130 1M7G AV2 0.00005382 0.48618 4.2654
131 2A9K GDP 0.0000001229 0.63538 4.27807
132 4QRH 0O2 0.0084 0.41319 4.28571
133 1KK8 BEF ADP 0.0006725 0.46072 4.31655
134 5MVR ADP 0.0001879 0.47024 4.32099
135 1YTM ATP 0.0001264 0.44032 4.32331
136 1KMQ GNP 0.0000002006 0.63752 4.34783
137 2QQ0 THM 0.0003667 0.49228 4.34783
138 2QQ0 ANP 0.000423 0.49228 4.34783
139 2QQ0 TMP 0.0004669 0.49016 4.34783
140 4YDS ATP 0.0001363 0.50514 4.38596
141 1GWN GTP 0.00000006695 0.65428 4.39024
142 1MR3 G3D 0.00000003844 0.64752 4.41989
143 4XOI GTP 0.0000001926 0.51278 4.44444
144 2VOH CIT 0.02176 0.40362 4.4586
145 2GCO GNP 0.0000001523 0.63102 4.47761
146 2GCN GDP 0.0000003532 0.62302 4.47761
147 1TX4 ALF GDP 0.0000001748 0.52164 4.51977
148 3QXC ATP 0.0001707 0.50337 4.54545
149 1ZC3 GNP 0.000000005105 0.72256 4.57143
150 1UAD GNP 0.0000000796 0.66218 4.57143
151 4LHW GNP 0.00000001247 0.54318 4.5977
152 3QBT GNP 0.00000004882 0.52757 4.5977
153 1SKQ GDP 0.0000007171 0.56933 4.65116
154 4WZ6 ATP 0.0001266 0.51202 4.65116
155 3DC4 ADP 0.000006686 0.50913 4.65116
156 3FYH ADP 0.0006303 0.47233 4.65116
157 3EWA ANP 0.0002755 0.46222 4.65116
158 2GDJ ANP 0.000828 0.44258 4.65116
159 2C9O ADP 0.0001428 0.43457 4.65116
160 5MEX SZZ 0.01861 0.41632 4.65116
161 5MEX PAP 0.007385 0.41399 4.65116
162 2GK6 ADP 0.002672 0.40785 4.65116
163 3TO7 COA 0.01919 0.40239 4.65116
164 1OW3 GDP 0.0000001303 0.63419 4.66321
165 1U8Z GDP 0.00000001302 0.5644 4.7619
166 1M7B GTP 0.00000006547 0.56431 4.8913
167 1YRB GDP 0.00000007663 0.64144 5.03876
168 4RD0 GDP 0.0000001464 0.6412 5.03876
169 1AZT GSP 0.0000009967 0.61604 5.03876
170 4ZKD GDP 0.0000009595 0.61239 5.03876
171 1FP6 ADP 0.00001371 0.53686 5.03876
172 1V8K ANP 0.00003816 0.50043 5.03876
173 1R6B ADP 0.00009777 0.4916 5.03876
174 3ZFD ANP 0.0001178 0.49077 5.03876
175 5IRN ADP 0.00004879 0.48159 5.03876
176 5LB3 ADP 0.0005502 0.46876 5.03876
177 3KTA AP5 0.0004854 0.46494 5.03876
178 1G6O ADP 0.0002991 0.45828 5.03876
179 4IEE AGS 0.001436 0.44868 5.03876
180 2XAU ADP 0.001313 0.44247 5.03876
181 3CV2 OXL 0.02162 0.40529 5.03876
182 2J5V PCA 0.03567 0.40185 5.03876
183 1VHT BA3 0.002254 0.43164 5.04587
184 1LVG ADP 0.00004433 0.47793 5.05051
185 1HTW ADP 0.0003421 0.4667 5.06329
186 4KVX ACO 0.01918 0.40382 5.12821
187 1KO8 6PG 0.0002828 0.48065 5.14286
188 1OE0 TTP 0.02019 0.40273 5.21739
189 2PZE ATP 0.00003029 0.45717 5.24017
190 1G16 GDP 0.0000002235 0.63246 5.29412
191 4KVG GTP 0.00000002539 0.68612 5.35714
192 1ZUI SKM 0.0001915 0.51369 5.35714
193 2JAQ DCP 0.01166 0.40981 5.36585
194 4HDO GNP 0.00000006579 0.66878 5.38922
195 3X1Z GNP 0.00000009893 0.49932 5.38922
196 2EFE GNH 0.00000004584 0.6518 5.42636
197 4LC1 GDP 0.00000007521 0.64428 5.42636
198 1SVK ALF GDP 0.0000008217 0.62226 5.42636
199 1DAR GDP 0.0000005849 0.58295 5.42636
200 1KK1 GNP 0.0000009538 0.5665 5.42636
201 1RRC ADP 0.000004712 0.48439 5.42636
202 2Y65 ADP 0.000008487 0.47804 5.42636
203 2OBM ADP 0.00001479 0.46827 5.42636
204 2ODE ALF GDP 0.000001078 0.46426 5.42636
205 2VVG ADP 0.000009166 0.46139 5.42636
206 1QF9 C5P 0.004663 0.44556 5.42636
207 3MGB PAP 0.008941 0.4119 5.42636
208 1OBB NAD 0.01642 0.40569 5.42636
209 1Y63 ADP 0.0000446 0.4974 5.43478
210 1NF3 GNP 0.00000008526 0.51486 5.46875
211 3KJI ADP 0.0001173 0.49358 5.51181
212 4MKF AP5 0.001174 0.48031 5.52995
213 4DKX GDP 0.00000002438 0.66726 5.55556
214 1D5C GDP 0.00000005054 0.65341 5.55556
215 3IIJ ADP 0.00001739 0.51543 5.55556
216 4BQS ADP 0.00007247 0.50417 5.68182
217 1TAD GDP 0.000001076 0.61441 5.81395
218 3MD0 GDP 0.000000452 0.57883 5.81395
219 2CE7 ADP 0.00007122 0.50085 5.81395
220 2AWN ADP 0.000001651 0.46687 5.81395
221 1TAD ALF 0.000001076 0.46506 5.81395
222 2XT3 ADP 0.00002142 0.46415 5.81395
223 5M7P ADP 0.0006745 0.46291 5.81395
224 3DZD ADP 0.0005448 0.46261 5.81395
225 3T34 GDP 0.00001537 0.4617 5.81395
226 5LTJ ADP 0.001023 0.44492 5.81395
227 5MZN ADP 0.002845 0.43974 5.81395
228 4KBF AMP 0.003583 0.40873 5.81395
229 3SXN COA 0.01516 0.4027 5.81395
230 2FFQ GSP 0.0000001569 0.65049 5.84795
231 2ZE7 DST 0.002353 0.44815 5.92885
232 2ZE7 AMP 0.002178 0.44815 5.92885
233 1UJ2 ADP 0.0003882 0.48608 5.95238
234 1UJ2 C5P 0.0006196 0.47624 5.95238
235 3AQ4 GDP 0.0000000577 0.63945 5.97826
236 5VGR GDP 0.00003303 0.47524 6.03248
237 1DS6 GDP 0.00000001593 0.65549 6.11111
238 1GUA GNP 0.00000008344 0.5107 6.17284
239 1ZCB GDP 0.000006183 0.57101 6.20155
240 3AB3 GDP 0.000006491 0.56038 6.20155
241 5L3V GDP 0.00000296 0.5475 6.20155
242 1SQ5 ADP 0.0000644 0.49991 6.20155
243 1F9V ADP 0.00003765 0.46971 6.20155
244 2Z5F A3P 0.002632 0.43707 6.20155
245 4CVN ADP 0.000001062 0.60959 6.28272
246 1XX6 ADP 0.002069 0.42354 6.28272
247 2WHX ADP 0.0001501 0.44435 6.31068
248 1G7C 5GP 0.000001816 0.5607 6.38298
249 3CX8 GSP 0.0000014 0.60883 6.40394
250 4QM7 GTP 0.0001944 0.46964 6.43275
251 2W58 ADP 0.000002136 0.47889 6.43564
252 3RAB GNP 0.00000002932 0.6831 6.50888
253 3T1O GDP 0.000002446 0.56837 6.58915
254 2Q2Y ADP 0.0002818 0.51052 6.58915
255 2Q2Y MKR 0.000279 0.50949 6.58915
256 5IFS ADP 0.0001594 0.48471 6.58915
257 4FCW ADP 0.0001531 0.48269 6.58915
258 4D81 ADP 0.00008038 0.47246 6.58915
259 2CVQ NDP 0.02587 0.40133 6.58915
260 3H4S ADP 0.00001571 0.4684 6.66667
261 2Y8E GNP 0.000000238 0.51059 6.70391
262 2B8W ALF 5GP 0.00004723 0.52636 6.70732
263 2B8T THM 0.006138 0.42145 6.72646
264 2ZTS ADP 0.0003513 0.4266 6.77291
265 2PL3 ADP 0.0006612 0.44001 6.77966
266 4XSH GSP 0.0000001389 0.5632 6.84932
267 5SZH GNP 0.00000006645 0.66857 6.89655
268 1UKZ ADP 0.001403 0.46788 6.89655
269 1RL4 BL5 0.007377 0.40423 6.91489
270 4YLG GDP 0.00000002895 0.60693 6.93642
271 1G7S GDP 0.000000551 0.59458 6.97674
272 4H1V GNP 0.0000001428 0.57389 6.97674
273 1IN4 ADP 0.00006638 0.51024 6.97674
274 1Z6T ADP 0.00003659 0.47572 6.97674
275 1OS1 ATP 0.0009214 0.47111 6.97674
276 1OS1 PYR 0.0009901 0.47111 6.97674
277 4LJ9 ACP 0.0003748 0.45738 6.97674
278 2ZPT A3P 0.01658 0.43177 6.97674
279 2GWH A3P 0.003577 0.42678 6.97674
280 1U1I NAD 0.02457 0.40814 6.97674
281 3MJH GTP 0.00000003007 0.53473 7.14286
282 2PEZ DAT 0.0001799 0.51064 7.26257
283 3LXR GDP 0.00000002921 0.63376 7.29167
284 4HUT ATP 0.01066 0.42038 7.32984
285 1JWY GDP 0.000001375 0.58323 7.36434
286 3TMK T5A 0.00008531 0.52162 7.36434
287 3Q9L ATP 0.0001292 0.49421 7.36434
288 1JWY ADP 0.0004989 0.45919 7.36434
289 5N69 ADP 0.0005039 0.43949 7.36434
290 4ZG4 VO4 ADP 0.00009969 0.42396 7.36434
291 1HE1 GDP 0.0000000517 0.56347 7.40741
292 1HE1 AF3 0.006191 0.42298 7.40741
293 5KSZ GCP 0.000000052 0.62412 7.75194
294 5CK5 GDP 0.0000002259 0.5928 7.75194
295 1IWE IMP 0.000396 0.54206 7.75194
296 2QG6 NMN 0.00004888 0.53159 7.75194
297 5I34 GDP 0.0001964 0.47773 7.75194
298 1F5N GNP 0.0000337 0.41818 7.75194
299 2FSH ANP 0.003393 0.40895 7.75194
300 4E03 ADP 0.00009708 0.49174 7.76699
301 1JJV ATP 0.0001337 0.44925 7.76699
302 3Q72 GNP 0.00000003112 0.62574 7.83133
303 2BME GNP 0.00000005806 0.66879 8.06452
304 3T12 GDP ALF 0.000001987 0.50207 8.08823
305 3ZIA ADP 0.000009322 0.54464 8.13953
306 3ZIA ATP 0.00000758 0.54245 8.13953
307 2ZR9 DTP 0.00005263 0.49382 8.13953
308 1W5T ANP 0.001217 0.45292 8.13953
309 1W5T ADP 0.001277 0.44771 8.13953
310 1J99 AND 0.01108 0.42327 8.13953
311 1CS4 GSP 0.000009976 0.43463 8.49057
312 3CPJ GDP 0.00000002023 0.6683 8.52018
313 2IYL GDP 0.000001844 0.55985 8.52713
314 2OFW ADX 0.0004478 0.49913 8.52713
315 3QKT ANP 0.001631 0.4525 8.52713
316 2QN6 GDP 0.00000005996 0.61392 8.60215
317 2VB6 ADP BEF 0.0005591 0.40069 8.72483
318 4U5X GNP 0.00000007988 0.64746 8.91473
319 3ZQ6 ADP ALF 0.00004558 0.53115 8.91473
320 3E70 GDP 0.00001416 0.53002 8.91473
321 4OI4 ATP 0.0001739 0.49717 8.91473
322 1G41 ADP 0.00008887 0.49642 8.91473
323 1CR1 TTP 0.0001609 0.49447 8.91473
324 1QF5 GDP 0.001054 0.49086 8.91473
325 1OFH ADP 0.0002016 0.48001 8.91473
326 1B7T ADP 0.0006286 0.45723 8.91473
327 4IDN GNP 0.00003352 0.44815 8.91473
328 3BER AMP 0.003395 0.42569 8.91473
329 5K5Z ANP 0.0004169 0.40299 8.91473
330 5H56 TYD 0.0002556 0.49997 9.23077
331 5H56 ADP 0.0002556 0.49997 9.23077
332 1K6M AGS 0.00008835 0.51122 9.30233
333 1XP8 AGS 0.0001676 0.46375 9.30233
334 2F9L GDP 0.0000004427 0.62109 9.54774
335 5E5U MLI 0.008066 0.44122 9.54774
336 1P72 ADP 0.00004033 0.54273 9.68992
337 5WRJ A3P 0.001428 0.45527 9.68992
338 4TTQ ATP 0.0001271 0.47794 9.76744
339 5HPY GDP 0.0000002553 0.62054 9.91379
340 4PPF FLC 0.000001225 0.62378 10.0775
341 2QEN ADP 0.000004664 0.56159 10.0775
342 5HR5 ADP 0.00004693 0.51475 10.0775
343 1YQT ADP 0.00003001 0.46888 10.0775
344 3EZ2 ADP 0.001227 0.45196 10.0775
345 2VF7 ADP 0.0008929 0.44761 10.0775
346 1FNN ADP 0.0001723 0.44134 10.0775
347 5HR5 FLC 0.009435 0.42554 10.0775
348 2HF9 GSP 0.000001971 0.53199 10.177
349 1E96 GTP 0.00000003858 0.67735 10.3448
350 4NCN GTP 0.0000005055 0.61834 10.4651
351 4TMZ GSP 0.0000005514 0.61654 10.4651
352 5GOE GDP 0.0000004623 0.58281 10.4651
353 4WZA ADP 0.0001277 0.54691 10.4651
354 4WZA ACP 0.0001277 0.54691 10.4651
355 4P4T GDP 0.0000003975 0.54576 10.4651
356 2BIF ANP 0.0001708 0.51327 10.4651
357 2BIF SIN 0.0002924 0.51327 10.4651
358 4QOS ADP 0.0005487 0.44638 10.4651
359 3LXK MI1 0.02391 0.40048 10.4651
360 1A4R GDP 0.00000003344 0.66524 10.4712
361 1A4R GNH 0.0000000285 0.66503 10.4712
362 2W2X GSP 0.00000005823 0.65714 10.4839
363 3PCR GTP 0.000002367 0.4965 10.4938
364 4DID GDP 0.00000007069 0.63541 10.5263
365 5JCZ GDP 0.0000005102 0.54052 10.6145
366 4LX0 BEF GDP 0.0000002302 0.64242 10.7345
367 2J59 GTP 0.000002065 0.58914 10.8434
368 5M04 GDP 0.0000000976 0.64959 10.8527
369 2FNA ADP 0.00005096 0.44075 10.8527
370 2HV8 GTP 0.00000003691 0.67828 11.0465
371 3EC1 GDP 0.00000001909 0.66144 11.2403
372 2OZE AGS 0.0002118 0.48655 11.2403
373 3RLF ANP 0.00073 0.4674 11.2403
374 2D7C GTP 0.0000003263 0.63263 11.3772
375 1DAK DPU 0.00008491 0.53942 11.6071
376 3TK1 GDP 0.000000004242 0.6457 11.6279
377 1CXZ GSP 0.0000001843 0.63644 11.6279
378 5FTB ANP 0.0004632 0.45077 11.6279
379 5FHD ADP ALF 0.0004671 0.41605 11.6279
380 3BC1 GNP 0.0000000387 0.67729 11.8644
381 3H86 AP5 0.0008602 0.47979 11.9792
382 3WYA GDP 0.000000006857 0.66726 11.9816
383 3WY9 GDP 0.00000003604 0.62328 11.9816
384 4XTR ADP 0.00008983 0.4522 11.9816
385 4XTR ATP 0.00003288 0.44353 11.9816
386 4XVU ATP 0.00004052 0.44046 11.9816
387 2KIN ADP 0.000002425 0.48036 12
388 1NY5 ADP 0.0007392 0.4588 12.0155
389 1GXU 2HP 0.00002739 0.55907 12.0879
390 2EW1 GNP 0.00000005657 0.66378 12.4378
391 1PUJ GNP 0.00000003506 0.65721 12.7907
392 1NN5 ANP 0.00023 0.50382 12.7907
393 5GJC ATP 0.0002095 0.48252 13.1783
394 1T8U UAP SGN IDS SGN 0.007845 0.43739 13.1783
395 1T8U A3P 0.005434 0.42216 13.1783
396 3UIE ANP 0.00007481 0.49987 13.5
397 5L3S GNP 0.000008194 0.46516 13.5135
398 5L3S G 0.01615 0.40642 13.5135
399 2RCN GDP 0.00000002189 0.64753 13.5659
400 5L3W GDP 0.000003383 0.56187 13.7255
401 3WYG GTP 0.000003516 0.58721 13.7363
402 1I4D GDP 0.000000002788 0.66776 13.8393
403 4R43 GDP 0.00001529 0.5359 13.9535
404 4HI0 GDP 0.000005433 0.49926 13.9535
405 3NKV GNP 0.00000001848 0.69276 14.2857
406 3TNF GNP 0.00000005271 0.67597 14.3411
407 4D0N GDP 0.00000004232 0.62973 14.3411
408 2G77 GDP 0.00000008493 0.58607 14.3411
409 2G77 AF3 0.0005259 0.48228 14.3411
410 1XKV ATP 0.0002974 0.47223 14.3411
411 2ZEJ GDP 0.0000001798 0.64762 14.6739
412 1G4U GDP 0.00000006433 0.57302 14.7287
413 1F2U ATP 0.003157 0.44195 14.7651
414 2RGX AP5 0.002802 0.46217 15.0485
415 3CNL GNP 0.00000008823 0.61037 15.1163
416 2JLR ANP 0.0006558 0.45887 15.1163
417 1WDT GTP 0.000007347 0.49602 15.5039
418 5X8G S0N 0.04505 0.40667 15.5039
419 1KAO GDP 0.0000001976 0.62574 15.5689
420 3T5G GDP 0.0000000293 0.65698 16.5746
421 1MKY GDP 0.000000002175 0.69082 16.6667
422 5BQ5 ADP BEF 0.00008605 0.48169 16.9312
423 3U6B GDP 0.00000006013 0.65973 17.0543
424 5JBQ GDP 0.0000001076 0.63697 17.0543
425 3U6K GDP 0.0000001082 0.63687 17.0543
426 1H65 GDP 0.0000002566 0.62961 17.0543
427 1D8T GDP 0.0000001247 0.61308 17.0543
428 4G5G GDP 0.0000001306 0.61238 17.0543
429 4P3Y GDP 0.00000008799 0.60883 17.0543
430 2BVN GNP 0.00000012 0.59551 17.0543
431 4PC3 GDP 0.0000002797 0.58021 17.0543
432 3TKL GTP 0.0000000292 0.6804 17.4419
433 3SFV GDP 0.00000008417 0.64958 17.6796
434 4J0Q GDP 0.0000002285 0.63178 17.8295
435 2V7Q ATP 0.000005138 0.5535 18.0147
436 1W0J ADP 0.000006685 0.55134 18.0147
437 1W0J ADP BEF 0.0001084 0.50023 18.0147
438 2V7Q ADP 0.00007163 0.4891 18.0147
439 2CK3 ANP 0.0001402 0.44587 18.0147
440 2CK3 ADP 0.0001416 0.42209 18.0147
441 1XTQ GDP 0.00000001725 0.68842 18.0791
442 1D2E GDP 0.00000006392 0.6451 18.2171
443 1WF3 GNP 0.00000009187 0.66175 18.6047
444 5FG3 GDP 0.00000001713 0.63781 18.6047
445 2C77 GNP 0.0000009096 0.60072 18.6047
446 2C78 GNP 0.0000005101 0.52567 18.6047
447 3B9Q MLI 0.000496 0.48591 18.6047
448 5L3R GCP 0.000005552 0.46357 18.6047
449 5KSP GDP 0.0000001009 0.62833 18.9474
450 3BD9 A3P 0.006522 0.40802 19.3798
451 5IRC GDP 0.0000003438 0.60767 19.403
452 1RYH GNP 0.00000002894 0.65723 19.7044
453 4M9Q GNP 0.0000006746 0.52345 20.155
454 3VMF GTP 0.0000003581 0.63068 20.5426
455 3WXM GTP 0.0000004501 0.62589 20.5426
456 4D0G GTP 0.00000002226 0.68008 20.5714
457 3M1I GTP 0.0000005413 0.62443 20.9302
458 3WYF GTP 0.0000009437 0.61501 20.9302
459 1FQK GDP 0.00000479 0.48239 21.0884
460 1FQK ALF 0.01916 0.40493 21.0884
461 1SVI GDP 0.00000000001893 0.75788 21.7054
462 3DOE GTP 0.000001104 0.60214 21.875
463 2QTV GNP 0.00000008366 0.65845 22.1557
464 5DI3 GNP 0.000000754 0.52275 22.1622
465 1KSH GDP 0.00000008377 0.64968 22.5806
466 5KDO GDP 0.000005657 0.49619 22.973
467 1GOT GDP 0.000004183 0.572 23.2877
468 4C4P GNP 0.0000001637 0.6496 23.3645
469 1FQJ GDP 0.000001236 0.50023 23.8095
470 1FQJ ALF 0.004133 0.43534 23.8095
471 3DEF GDP 0.000000714 0.59644 24.031
472 5UWI GNP 0.0000005942 0.62247 24.0506
473 5UWP GNP 0.000000758 0.61964 24.0506
474 5UWT GNP 0.0000008459 0.61504 24.0506
475 5DIF GNP 0.000000572 0.48955 24.0506
476 5UWO GNP 0.0000006054 0.48953 24.0506
477 5UWU GNP 0.0000006193 0.48859 24.0506
478 5UWR GNP 0.0000006894 0.48819 24.0506
479 5UWW GNP 0.0000006568 0.48802 24.0506
480 5UWH GNP 0.0000006973 0.48791 24.0506
481 5UWQ GNP 0.0000007368 0.4874 24.0506
482 5UWJ GNP 0.0000007498 0.4868 24.0506
483 5DHF GNP 0.0000007348 0.48667 24.0506
484 5DI9 GNP 0.0000009718 0.47603 24.0506
485 2A5F GTP 0.000001006 0.6066 24.4186
486 3N5C GDP 0.0000005292 0.6045 24.4186
487 4KAX GTP 0.000001795 0.58946 24.4186
488 2W83 GTP 0.000002886 0.5822 24.4186
489 3GJ0 GDP 0.00000008917 0.64081 25.7919
490 3GJ4 GDP 0.00000005923 0.62752 25.7919
491 3GJ7 GDP 0.0000000807 0.62152 25.7919
492 3GJ3 GDP 0.0000001084 0.61585 25.7919
493 3GJ5 GDP 0.0000002343 0.61158 25.7919
494 3GJ8 GDP 0.0000002365 0.6114 25.7919
495 3GJX GTP 0.0000003438 0.63398 26.3889
496 5BXQ GDP 0.000000142 0.62154 26.3889
497 1IBR GNP 0.0000006225 0.62149 26.3889
498 4HAT GNP 0.000000937 0.61516 26.3889
499 3CH5 GDP 0.0000003356 0.60444 26.3889
500 3E5H GNP 0.0000005931 0.62011 26.4045
501 1U0J ADP 0.0002753 0.4525 26.7442
502 2FH5 GTP 0.00000005049 0.66007 27.1318
503 2D7D ADP 0.001111 0.43828 27.5
504 2CJW GDP 0.000000003103 0.68393 27.5194
505 3Q85 GNP 0.00000002971 0.64039 28.4024
506 1KY3 GDP 0.0000001326 0.63038 28.6822
507 4DCT GDP 0.00000001142 0.67166 29.0698
508 1TU3 GNP 0.00000001676 0.69482 29.1139
509 4B47 GDP 0.00000005545 0.61773 29.845
510 3QF7 ANP 0.0008024 0.45936 30
511 2HCJ GDP 0.0000000373 0.62395 32.4324
512 4DSU GDP 0.0000001097 0.65802 34.3915
513 5UQW GDP 0.0000001382 0.64798 34.3915
514 3REF GDP 0.00000003444 0.56006 34.5361
515 5TB5 GDP 0.00000006679 0.64048 35.1351
516 5TAR GDP 0.00000007227 0.60251 35.1351
517 2X77 GDP 0.000000005598 0.68583 35.9788
518 4ZI2 GNP 0.0000001664 0.54393 36.3158
519 4GOJ GNP 0.0000003052 0.62604 36.5079
520 1FZQ GDP 0.00000001455 0.65475 37.5691
521 5O2T GSP 0.00000007592 0.51264 38.4615
522 5UFQ GNP 0.0000001065 0.51775 39.1566
523 5XCO GDP 0.00000002216 0.66646 39.1813
524 1UPT GTP 0.000003211 0.57746 39.1813
525 5EE5 GTP 0.0000008941 0.60385 40.3509
526 2GJ8 ALF GDP 0.0000001133 0.50799 40.6977
527 4V0K GDP 0.000000075 0.53343 40.8284
528 3PQC GDP 0.0000000005862 0.7066 41.0256
529 4HDQ GNP 0.00000005781 0.6715 42.3077
530 2C5L GTP 0.00000007777 0.66526 43.3526
531 1LFD GNP 0.00000008271 0.66138 43.7126
532 4K81 GTP 0.00000000522 0.72483 43.8596
533 1NVV GNP 0.00000005289 0.67337 43.9759
534 1NVU GTP 0.00000006058 0.67051 43.9759
535 3DDC GNP 0.00000007368 0.66639 43.9759
536 2UZI GTP 0.00000008471 0.66088 43.9759
537 3KUD GDP 0.0000001109 0.64392 43.9759
538 1WQ1 GDP 0.0000002278 0.52286 43.9759
539 1WQ1 AF3 0.002744 0.44931 43.9759
540 1CLU DBG 0.0000000338 0.4325 44.5783
541 5E95 GDP 0.000000004338 0.63567 44.6429
542 5UWS GNP 0.000001075 0.47545 45.4545
Pocket No.: 2; Query (leader) PDB : 3A1S; Ligand: GDP; Similar sites found: 10
This union binding pocket(no: 2) in the query (biounit: 3a1s.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5EP2 AZU 0.01504 0.40116 1.17188
2 3GRU AMP 0.01641 0.40421 1.93798
3 4L2H AR6 AR6 0.01983 0.41063 4.26357
4 3BFX A3P 0.001572 0.40668 4.26357
5 3MB5 SAM 0.01755 0.4028 4.26357
6 2V6G NAP 0.02052 0.40874 4.65116
7 5H67 ATP 0.007751 0.40458 5.85106
8 3H4V DVP 0.03159 0.41008 7.36434
9 4AF0 IMP 0.01728 0.40158 7.36434
10 2PWY SAH 0.01792 0.40236 8.52713
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