Receptor
PDB id Resolution Class Description Source Keywords
4XSH 2.5 Å NON-ENZYME: OTHER THE COMPLEX STRUCTURE OF C3CER EXOENZYME AND GTP BOUND RHOA BOUND STATE) HOMO SAPIENS ADP RIBOSE TRANSFERASES BACTERIAL TOXINS SIGNALING PROTEINTRANSFERASE COMPLEX
Ref.: RHO GTPASE RECOGNITION BY C3 EXOENZYME BASED ON C3-COMPLEX STRUCTURE. J.BIOL.CHEM. V. 290 19423 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAI B:301;
Valid;
none;
submit data
665.441 C21 H29 N7 O14 P2 c1nc(...
EDO B:302;
B:303;
B:304;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
MG A:202;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
GSP A:201;
Valid;
none;
submit data
539.246 C10 H16 N5 O13 P3 S c1nc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XSH 2.5 Å NON-ENZYME: OTHER THE COMPLEX STRUCTURE OF C3CER EXOENZYME AND GTP BOUND RHOA BOUND STATE) HOMO SAPIENS ADP RIBOSE TRANSFERASES BACTERIAL TOXINS SIGNALING PROTEINTRANSFERASE COMPLEX
Ref.: RHO GTPASE RECOGNITION BY C3 EXOENZYME BASED ON C3-COMPLEX STRUCTURE. J.BIOL.CHEM. V. 290 19423 2015
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4XSH - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
2 5BWM - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
3 4XSG - GSP C10 H16 N5 O13 P3 S 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 1068 families.
1 4XSH - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
2 5BWM - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4XSH - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
2 5BWM - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAI; Similar ligands found: 249
No: Ligand ECFP6 Tc MDL keys Tc
1 NAI 1 1
2 0WD 0.814815 0.986842
3 NDP 0.803738 0.986842
4 AP0 0.743119 0.961039
5 NMN AMP PO4 0.704348 0.960526
6 NAX 0.663717 0.961538
7 A2D 0.659574 0.933333
8 6V0 0.649123 0.986842
9 TXE 0.62931 0.948052
10 BA3 0.628866 0.933333
11 AP5 0.622449 0.933333
12 B4P 0.622449 0.933333
13 TXD 0.62069 0.923077
14 APR 0.613861 0.907895
15 AR6 0.613861 0.907895
16 EAD 0.609375 0.961538
17 AGS 0.607843 0.8625
18 SAP 0.607843 0.8625
19 ADP 0.606061 0.907895
20 ATP 0.60396 0.907895
21 50T 0.60396 0.871795
22 AN2 0.6 0.896104
23 A22 0.598131 0.921053
24 5FA 0.598039 0.907895
25 AQP 0.598039 0.907895
26 CA0 0.594059 0.909091
27 M33 0.594059 0.896104
28 AD9 0.592233 0.884615
29 NAJ PZO 0.592 0.935897
30 P1H 0.590909 0.9375
31 ACP 0.588235 0.884615
32 A1R 0.587156 0.851852
33 4AD 0.587156 0.886076
34 PRX 0.582524 0.8375
35 ANP 0.580952 0.884615
36 3OD 0.580357 0.909091
37 SRP 0.579439 0.873418
38 ADX 0.578431 0.821429
39 OAD 0.576577 0.909091
40 5AL 0.575472 0.896104
41 ADJ 0.569106 0.890244
42 UP5 0.566667 0.960526
43 ACQ 0.566038 0.884615
44 AMP 0.561224 0.881579
45 A 0.561224 0.881579
46 ATF 0.555556 0.873418
47 8QN 0.54955 0.896104
48 25L 0.547826 0.921053
49 4TC 0.544715 0.935897
50 ADQ 0.544643 0.909091
51 PAJ 0.544643 0.853659
52 AMO 0.544643 0.897436
53 ABM 0.544554 0.858974
54 NPW 0.544 0.949367
55 WAQ 0.54386 0.851852
56 PR8 0.54386 0.821429
57 LAD 0.54386 0.831325
58 DG1 0.541353 0.986842
59 1DG 0.541353 0.986842
60 00A 0.539823 0.875
61 NZQ 0.539683 0.974026
62 1ZZ 0.53913 0.811765
63 BIS 0.53913 0.851852
64 APC 0.537736 0.873418
65 OMR 0.536585 0.823529
66 5SV 0.535714 0.797619
67 OOB 0.535714 0.921053
68 25A 0.535714 0.907895
69 3UK 0.535088 0.909091
70 AMP MG 0.534653 0.835443
71 AP2 0.533981 0.873418
72 A12 0.533981 0.873418
73 NXX 0.528455 0.922078
74 DND 0.528455 0.922078
75 CNA 0.527559 0.922078
76 AHX 0.526316 0.864198
77 DLL 0.526316 0.921053
78 FYA 0.525862 0.871795
79 NB8 0.525862 0.864198
80 ME8 0.525862 0.811765
81 PTJ 0.525862 0.841463
82 YAP 0.525424 0.886076
83 SRA 0.524752 0.8375
84 SON 0.52381 0.873418
85 TAT 0.522936 0.873418
86 VO4 ADP 0.522523 0.871795
87 ADP VO4 0.522523 0.871795
88 48N 0.520325 0.864198
89 YLP 0.520325 0.793103
90 YLB 0.52 0.793103
91 AU1 0.518868 0.884615
92 ADP MG 0.518868 0.848101
93 ADP PO3 0.518519 0.881579
94 9SN 0.516949 0.864198
95 BEF ADP 0.514019 0.82716
96 ADP BEF 0.514019 0.82716
97 ATP MG 0.513761 0.848101
98 TXA 0.512821 0.897436
99 FA5 0.512605 0.897436
100 GAP 0.509091 0.860759
101 4UU 0.508197 0.960526
102 YLC 0.507937 0.833333
103 T5A 0.507812 0.925926
104 RBY 0.504587 0.873418
105 ADV 0.504587 0.873418
106 4UW 0.504 0.924051
107 TXP 0.503876 0.911392
108 DAL AMP 0.5 0.871795
109 ALF ADP 0.5 0.817073
110 G3A 0.5 0.8875
111 TYM 0.5 0.897436
112 ADP ALF 0.5 0.817073
113 LAQ 0.5 0.811765
114 COD 0.496183 0.786517
115 YLA 0.496124 0.813953
116 139 0.496124 0.9125
117 AFH 0.495935 0.853659
118 G5P 0.495935 0.8875
119 XAH 0.495868 0.811765
120 ANP MG 0.495575 0.839506
121 BT5 0.492424 0.784091
122 AYB 0.492308 0.784091
123 A4P 0.492188 0.880952
124 GTA 0.491935 0.855422
125 4UV 0.491803 0.960526
126 A2R 0.491228 0.896104
127 MAP 0.486957 0.8625
128 XNP 0.484848 0.936709
129 NAD 0.484848 0.921053
130 UPA 0.484375 0.948052
131 7MD 0.483871 0.833333
132 MYR AMP 0.483333 0.790698
133 NA7 0.483051 0.873418
134 YLY 0.477941 0.784091
135 ATR 0.477477 0.881579
136 LA8 ALF 3PG 0.476562 0.809524
137 ALF ADP 3PG 0.476562 0.809524
138 AOC 0.47619 0.792208
139 ATP A A A 0.47541 0.894737
140 BTX 0.473684 0.793103
141 5AS 0.472222 0.736264
142 TYR AMP 0.471545 0.873418
143 NAQ 0.471014 0.864198
144 ADP BMA 0.470588 0.884615
145 N0B 0.467626 0.835294
146 A A 0.466667 0.883117
147 A3D 0.466667 0.909091
148 NJP 0.466165 0.910256
149 IOT 0.465649 0.784091
150 AF3 ADP 3PG 0.465116 0.809524
151 PAP 0.464286 0.894737
152 NAE 0.463768 0.886076
153 7MC 0.461538 0.813953
154 DZD 0.459259 0.876543
155 ZID 0.457143 0.909091
156 TAD 0.456693 0.853659
157 2A5 0.455357 0.8375
158 62F 0.453947 0.833333
159 AHZ 0.453125 0.790698
160 FB0 0.452055 0.76087
161 JB6 0.45082 0.851852
162 ITT 0.45045 0.857143
163 7D4 0.45045 0.825
164 LPA AMP 0.449612 0.790698
165 G5A 0.447368 0.755556
166 M24 0.446043 0.843373
167 AVV 0.445378 0.841463
168 NAD IBO 0.444444 0.8625
169 NDC 0.442177 0.864198
170 ARG AMP 0.44186 0.781609
171 NSS 0.441667 0.775281
172 4TA 0.441176 0.890244
173 VMS 0.440678 0.764045
174 54H 0.440678 0.764045
175 7D3 0.440367 0.825
176 5CD 0.44 0.753247
177 PPS 0.439655 0.8
178 RAB 0.438776 0.789474
179 ADN 0.438776 0.789474
180 XYA 0.438776 0.789474
181 NDE 0.438356 0.897436
182 AR6 AR6 0.4375 0.883117
183 TSB 0.436975 0.793103
184 53H 0.436975 0.755556
185 DTA 0.436893 0.759494
186 A3P 0.436364 0.881579
187 A2P 0.436364 0.868421
188 A5A 0.435897 0.781609
189 FNK 0.435065 0.840909
190 ODP 0.433824 0.924051
191 SFG 0.433628 0.725
192 Z5A 0.433566 0.858824
193 6FA 0.433333 0.835294
194 SSA 0.432203 0.775281
195 J7C 0.431193 0.702381
196 DTP 0.431034 0.825
197 P5A 0.430894 0.723404
198 5N5 0.43 0.766234
199 DSZ 0.429752 0.775281
200 LSS 0.429752 0.73913
201 NAJ PYZ 0.429577 0.843373
202 52H 0.428571 0.755556
203 SFD 0.427632 0.731959
204 6AD 0.42735 0.831325
205 EP4 0.427184 0.707317
206 FDA 0.426667 0.870588
207 ARU 0.42623 0.788235
208 NVA LMS 0.42623 0.73913
209 6RE 0.425926 0.694118
210 A4D 0.425743 0.766234
211 5CA 0.425 0.775281
212 3DH 0.424528 0.725
213 AV2 0.423729 0.835443
214 LEU LMS 0.422764 0.73913
215 AMP DBH 0.421875 0.860759
216 DAT 0.421053 0.825
217 5X8 0.421053 0.7375
218 GSU 0.419355 0.755556
219 MTA 0.419048 0.725
220 3AT 0.418803 0.883117
221 DCA 0.41844 0.777778
222 ETB 0.41844 0.786517
223 FAS 0.418301 0.845238
224 FAD 0.418301 0.845238
225 A3N 0.418182 0.759494
226 F2N 0.417178 0.850575
227 7D5 0.415094 0.8
228 A U 0.414815 0.910256
229 YSA 0.414062 0.775281
230 NAD BBN 0.412903 0.835294
231 0T1 0.412587 0.777778
232 2AM 0.411215 0.857143
233 M2T 0.409524 0.690476
234 KAA 0.408 0.731183
235 7C5 0.407692 0.790123
236 3AM 0.407407 0.844156
237 AMP NAD 0.406897 0.873418
238 NAP 0.406897 0.909091
239 PUA 0.405594 0.9
240 FAY 0.405063 0.855422
241 P5F 0.404908 0.83908
242 EEM 0.403361 0.670455
243 COA 0.402778 0.777778
244 RFL 0.402516 0.816092
245 GJV 0.401786 0.686047
246 SA8 0.401709 0.686047
247 U A C C 0.401408 0.898734
248 G A A A 0.4 0.841463
249 WSA 0.4 0.784091
Ligand no: 2; Ligand: GSP; Similar ligands found: 132
No: Ligand ECFP6 Tc MDL keys Tc
1 GSP 1 1
2 GP3 0.897436 0.925
3 GTP 0.853659 0.948718
4 GNH 0.829268 0.936709
5 GDP 0.817073 0.948718
6 G1R 0.8 0.936709
7 GCP 0.77907 0.925
8 GNP 0.770115 0.925
9 GMV 0.767442 0.925
10 5GP 0.756098 0.935897
11 G 0.756098 0.935897
12 G2R 0.747253 0.91358
13 GKE 0.744681 0.91358
14 GDD 0.744681 0.91358
15 GDC 0.744681 0.91358
16 GPG 0.73913 0.91358
17 GTG 0.736842 0.891566
18 G3A 0.729167 0.925
19 G5P 0.721649 0.925
20 GDR 0.71875 0.91358
21 GFB 0.71875 0.91358
22 GAV 0.714286 0.987179
23 GP2 0.712644 0.91358
24 6CK 0.71134 0.891566
25 Y9Z 0.708333 0.860465
26 JB2 0.69697 0.91358
27 GKD 0.69697 0.91358
28 GDP MG 0.696629 0.878049
29 G2P 0.692308 0.91358
30 GDX 0.69 0.925
31 GPD 0.69 0.880952
32 GDP BEF 0.688889 0.857143
33 GCP G 0.677419 0.888889
34 ALF 5GP 0.67033 0.847059
35 0O2 0.666667 0.935897
36 GTP MG 0.666667 0.878049
37 BEF GDP 0.666667 0.847059
38 YGP 0.663265 0.858824
39 JB3 0.657143 0.902439
40 GDP ALF 0.645833 0.847059
41 GDP AF3 0.645833 0.847059
42 G G 0.642857 0.888889
43 GMP 0.641975 0.835443
44 G3D 0.638298 0.935897
45 NGD 0.635514 0.91358
46 2MD 0.633027 0.894118
47 CAG 0.630631 0.840909
48 G4P 0.625 0.935897
49 U2G 0.62037 0.891566
50 FEG 0.62037 0.83908
51 MGD 0.616071 0.894118
52 ZGP 0.614679 0.872093
53 CG2 0.609091 0.891566
54 TPG 0.598291 0.804348
55 3GP 0.595506 0.898734
56 GDP 7MG 0.590476 0.86747
57 GH3 0.581633 0.924051
58 MD1 0.581197 0.894118
59 PGD 0.581197 0.926829
60 2GP 0.577778 0.911392
61 DGT 0.561224 0.878049
62 DBG 0.558333 0.902439
63 G1G 0.550847 0.880952
64 SAP 0.547368 0.924051
65 AGS 0.547368 0.924051
66 FE9 0.546219 0.8
67 G4M 0.539062 0.840909
68 U A G G 0.538462 0.888889
69 G A A A 0.529915 0.878049
70 MGP 0.525253 0.91358
71 GPX 0.524272 0.898734
72 BGO 0.521739 0.879518
73 DGI 0.520408 0.878049
74 6G0 0.52 0.91358
75 I2C FE2 CMO CMO 0.516667 0.774194
76 IDP 0.515464 0.923077
77 GGM 0.508475 0.858824
78 G1R G1R 0.508065 0.879518
79 PGD O 0.504 0.875
80 G G U 0.5 0.888889
81 GTA 0.486726 0.891566
82 P2G 0.484536 0.839506
83 GPC 0.483607 0.83908
84 G C 0.483333 0.857143
85 P1G 0.474747 0.829268
86 DG 0.474227 0.865854
87 DGP 0.474227 0.865854
88 BA3 0.46875 0.85
89 AP5 0.463918 0.85
90 B4P 0.463918 0.85
91 IMP 0.463918 0.910256
92 G2Q 0.462963 0.91358
93 G G G RPC 0.459016 0.833333
94 APC G U 0.456 0.843373
95 U G A 0.452555 0.847059
96 ATP 0.45 0.873418
97 G G G C 0.448819 0.869048
98 A2D 0.447917 0.85
99 5FA 0.445545 0.873418
100 AQP 0.445545 0.873418
101 A G C C 0.445312 0.86747
102 G7M 0.444444 0.901235
103 G U34 0.442623 0.847059
104 01G 0.442478 0.860465
105 ITT 0.44 0.825
106 SGP 0.44 0.876543
107 G C C C 0.431818 0.879518
108 AN2 0.43 0.8625
109 DG DG 0.428571 0.825581
110 A4P 0.42623 0.829545
111 UCG 0.424242 0.86747
112 C2E 0.423077 0.875
113 PCG 0.423077 0.886076
114 35G 0.423077 0.886076
115 MGO 0.420561 0.823529
116 ADP 0.42 0.873418
117 ANP 0.419048 0.851852
118 5GP 5GP 0.419048 0.839506
119 ADQ 0.418182 0.829268
120 APR 0.417476 0.85
121 AR6 0.417476 0.85
122 7DT 0.417476 0.860759
123 A G U 0.414286 0.847059
124 AD9 0.413462 0.851852
125 UP5 0.413223 0.831325
126 A22 0.412844 0.8625
127 25L 0.412281 0.8625
128 M33 0.411765 0.839506
129 JBT 0.410405 0.783505
130 ACP 0.407767 0.851852
131 ACQ 0.40566 0.851852
132 A1R 0.405405 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XSH; Ligand: GSP; Similar sites found: 362
This union binding pocket(no: 1) in the query (biounit: 4xsh.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4FCW ADP 0.001214 0.41123 1.67598
2 3ZS9 ADP ALF 0.00003923 0.51017 2.7933
3 2WOJ ADP ALF 0.00004501 0.44589 2.7933
4 1D2E GDP 0.0000001038 0.62386 3.35196
5 3TK1 GDP 0.00000004166 0.5428 3.35196
6 2WIC GNP 0.001894 0.46305 3.35196
7 2CHG ANP 0.0006879 0.43712 3.35196
8 3BFV ADP 0.0001812 0.49589 3.65297
9 4PX9 ADP 0.0004777 0.40948 3.65297
10 1YQT ADP 0.0001264 0.52291 3.91061
11 2ZFI ADP 0.000003935 0.49323 3.91061
12 3FWY ADP 0.00007458 0.4775 3.91061
13 5BQ5 ADP BEF 0.0003282 0.47211 3.91061
14 4FRZ ADP 0.000007465 0.44785 3.91061
15 4MKF AP5 0.002731 0.44509 3.91061
16 3KTA AP5 0.0005494 0.43362 3.91061
17 4IEE AGS 0.0012 0.46184 4.10959
18 1W5T ANP 0.00307 0.41751 4.10959
19 1D2N ANP 0.001941 0.41687 4.10959
20 4GLL NAD 0.01712 0.4005 4.10959
21 1JI0 ATP 0.00004729 0.53903 4.46927
22 2XAU ADP 0.0007032 0.45691 4.46927
23 4GOX A3P 0.003846 0.4169 4.46927
24 1NJF AGS 0.0008327 0.44402 4.56621
25 1NJF ADP 0.0007866 0.44095 4.56621
26 2GDJ ANP 0.0002937 0.42283 4.56621
27 4NZ6 DGL 0.02595 0.40273 4.56621
28 1OE0 TTP 0.01136 0.40086 4.56621
29 4QM7 GTP 0.00009673 0.50902 4.67836
30 2C78 GNP 0.000000001263 0.69679 5.02793
31 2C77 GNP 0.000000001073 0.69634 5.02793
32 2XT3 ADP 0.000001492 0.62944 5.02793
33 2WJG GDP 0.00000002653 0.57859 5.02793
34 4ZG4 VO4 ADP 0.000004581 0.54467 5.02793
35 2XTN GTP 0.00001701 0.51978 5.02793
36 3E70 GDP 0.00005054 0.5158 5.02793
37 3BOS CDP 0.0001037 0.50757 5.02793
38 5N69 ADP 0.0001637 0.48045 5.02793
39 1R6B ADP 0.0003039 0.47919 5.02793
40 5L3W GDP 0.00003495 0.47727 5.02793
41 2BIF ANP 0.0006011 0.46687 5.02793
42 2BIF SIN 0.001039 0.46687 5.02793
43 1GOJ ADP 0.0000004439 0.45441 5.02793
44 3DZD ADP 0.0008042 0.44943 5.02793
45 3KJI ADP 0.005117 0.43026 5.02793
46 4P32 ADP 0.002055 0.40773 5.02793
47 4BQS ADP 0.001589 0.45022 5.11364
48 4BQS K2Q 0.001589 0.45022 5.11364
49 4CVN ADP 0.00001213 0.56902 5.2356
50 4QRH 0O2 0.002742 0.41964 5.2381
51 2BVN GNP 0.0000000005542 0.67994 5.47945
52 1D8T GDP 0.00000001764 0.58087 5.47945
53 2FAH GDP 0.0002396 0.47303 5.47945
54 1X6V ADP 0.0005272 0.46344 5.47945
55 2ZR9 DTP 0.0001503 0.43286 5.47945
56 4NU0 AP5 0.00196 0.44844 5.52995
57 4NON GDP 0.00000003006 0.65097 5.58659
58 1G7S GDP 0.0000002402 0.62499 5.58659
59 5KUT GDP 0.000000009661 0.60335 5.58659
60 2DPY ADP 0.0001372 0.51556 5.58659
61 1SQ5 ADP 0.00007865 0.50678 5.58659
62 4R2I ANP 0.001429 0.46389 5.58659
63 4HSE ADP 0.00004475 0.46021 5.58659
64 4KFU ACP 0.000007872 0.45198 5.58659
65 1IHU AF3 0.0002304 0.44623 5.58659
66 1IHU ADP 0.0002425 0.43754 5.58659
67 4YMU ATP 0.00006446 0.43582 5.58659
68 3NHB ADP 0.00002812 0.42726 5.58659
69 1APZ ASP 0.02145 0.40396 5.67376
70 4WOP CTP 0.00005607 0.49261 5.77778
71 3H4S ADP 0.000001533 0.45396 5.92593
72 1SKQ GDP 0.0000000341 0.55884 5.93607
73 3FB4 AP5 0.002491 0.44588 6.01852
74 2WJH GDP 0.00000001785 0.59792 6.0241
75 2WJH FLC 0.000003222 0.5184 6.0241
76 4TTQ ATP 0.0003158 0.42428 6.04651
77 5I0H ADP BEF 0.000004335 0.54061 6.14525
78 4MKG AP5 0.002355 0.44701 6.14525
79 1SVM ATP 0.006743 0.43237 6.14525
80 5X40 ACP 0.00176 0.43175 6.14525
81 1XKV ATP 0.0006521 0.45842 6.39269
82 2VVG ADP 0.000000519 0.45395 6.39269
83 3VX3 ADP 0.0004382 0.45186 6.39269
84 1FNN ADP 0.0005332 0.4482 6.39269
85 1LVG ADP 0.00002483 0.43897 6.56566
86 4H1V GNP 0.000006001 0.52382 6.70391
87 1JWY GDP 0.000004318 0.5225 6.70391
88 2QEN ADP 0.00007682 0.47688 6.70391
89 4QOS ADP 0.0004091 0.46771 6.70391
90 2Y65 ADP 0.00000186 0.4527 6.70391
91 3COB ADP 0.000002477 0.45163 6.70391
92 1JWY ADP 0.0001118 0.4443 6.70391
93 1YTM ATP 0.0005195 0.44106 6.70391
94 4LJ9 ACP 0.003977 0.43123 6.70391
95 1NHX FTB 0.01016 0.42125 6.70391
96 1NHX PEP 0.01063 0.4194 6.70391
97 4PJ3 ANP 0.005279 0.41274 6.70391
98 1JJV ATP 0.0001152 0.52458 6.79612
99 3A1S GDP 0.0000001389 0.5632 6.84932
100 3ZQ6 ADP ALF 0.00005689 0.44168 6.84932
101 3FYH ADP 0.001987 0.43121 6.84932
102 4WZ6 ATP 0.00003424 0.55332 7.26257
103 2BEK ATP 0.0009032 0.46399 7.26257
104 2PEZ GGZ 0.0006907 0.4627 7.26257
105 2PEZ DAT 0.0006907 0.4627 7.26257
106 4D81 ADP 0.0004648 0.43652 7.26257
107 1OS1 PYR 0.002614 0.43373 7.26257
108 1OS1 ATP 0.002655 0.43199 7.26257
109 4YS0 ADP 0.003247 0.41826 7.26257
110 3CV2 OXL 0.02422 0.40977 7.26257
111 3BFX A3P 0.005664 0.40411 7.30594
112 1YRB GDP 0.00000002413 0.61236 7.76256
113 2IXE ATP 0.001254 0.4363 7.76256
114 1VHT BA3 0.001587 0.4113 7.79817
115 4Q1A 2XZ 0.004015 0.48488 7.82123
116 4Q1A UDP 0.004015 0.48488 7.82123
117 4XTR ATP 0.0001317 0.48094 7.82123
118 4XVU ATP 0.0001403 0.47975 7.82123
119 4XTR ADP 0.0002308 0.46381 7.82123
120 1ZIN AP5 0.002782 0.44364 7.82123
121 2ZJ5 ADP 0.00476 0.44068 7.82123
122 5I34 GDP 0.0005207 0.42852 7.82123
123 3UIE ANP 0.00004127 0.4698 8
124 1PUJ GNP 0.00000000627 0.67854 8.21918
125 4M9Q GNP 0.000000003621 0.63981 8.21918
126 4R43 GDP 0.0001609 0.49837 8.21918
127 1ION ADP 0.0003298 0.47201 8.21918
128 2QN6 GDP 0.000000002822 0.74003 8.37989
129 4RD0 GDP 0.0000000004214 0.7175 8.37989
130 1DAR GDP 0.0000001957 0.6388 8.37989
131 1IWE IMP 0.0006527 0.51091 8.37989
132 2ZPA ADP 0.0004404 0.45177 8.37989
133 3WXM GTP 0.000000007164 0.6732 8.6758
134 5LB3 ADP 0.00007728 0.52072 8.6758
135 5L3V GDP 0.00002896 0.5205 8.6758
136 5L3S GNP 0.00003575 0.50786 8.6758
137 1OXV ANP 0.00006322 0.43314 8.93855
138 1UKZ ADP 0.004739 0.42601 8.93855
139 4DCT GDP 0.000000003467 0.7115 9.13242
140 1H65 GDP 0.000009728 0.50185 9.13242
141 4PFO ADP 0.0001742 0.47959 9.13242
142 3IUY AMP 0.001967 0.40135 9.13242
143 3IIJ ADP 0.00004346 0.52576 9.44444
144 2HF9 GSP 0.0000006857 0.58575 9.49721
145 2PL3 ADP 0.0003926 0.48583 9.49721
146 1M7G ADX 0.0003642 0.4738 9.49721
147 1M7G ADP 0.0003528 0.47125 9.49721
148 1M7G AV2 0.00001714 0.4557 9.49721
149 4U00 ADP 0.000007719 0.41788 9.49721
150 3FVQ ATP 0.0008118 0.44248 9.58904
151 2FH5 GTP 0.0000000006253 0.68502 10.0457
152 5M04 GDP 0.0000001221 0.54335 10.0457
153 5MZN ADP 0.001554 0.46204 10.0457
154 1FP6 ADP 0.0001098 0.46219 10.0559
155 2VF7 ADP 0.0009404 0.45612 10.0559
156 1BG2 ADP 0.000000477 0.45372 10.0559
157 5H56 ADP 0.001453 0.44521 10.2564
158 5H56 TYD 0.001453 0.44521 10.2564
159 3DKP ADP 0.001065 0.40548 10.5023
160 1SVI GDP 0.000000001356 0.75576 10.6145
161 4WZA ACP 0.00002467 0.55963 10.6145
162 4WZA ADP 0.00002467 0.55963 10.6145
163 3B5J 12D 0.00004339 0.54093 10.6145
164 3TBK ANP 0.0009656 0.47253 10.6145
165 1P72 ADP 0.001155 0.45258 10.6145
166 5TSH ANP 0.00004284 0.45252 10.6145
167 1NY5 ADP 0.0006676 0.44842 10.6145
168 3B7G ANP 0.0004514 0.42699 10.6145
169 5TSH ADP 0.00009522 0.41857 10.6145
170 1XX6 ADP 0.00007224 0.41087 10.6145
171 2W58 ADP 0.000002181 0.43309 10.8911
172 1W0J ADP 0.00005887 0.47381 10.9589
173 2CK3 ADP 0.0004005 0.45985 10.9589
174 2CK3 ANP 0.0004556 0.45113 10.9589
175 1W0J ADP BEF 0.0004565 0.45109 10.9589
176 3DC4 ADP 0.000002113 0.47826 11.1732
177 1Z83 AP5 0.003351 0.43287 11.1732
178 3RC3 ANP 0.0088 0.41899 11.1732
179 1V8K ANP 0.000003124 0.58084 11.4155
180 4LPS GDP 0.00000003464 0.58054 11.4155
181 3ZFD ANP 0.000003306 0.5159 11.4155
182 1F9V ADP 0.000004214 0.45684 11.4155
183 1G6H ADP 0.000006898 0.419 11.4155
184 4IOK ADP 0.01872 0.41861 11.4155
185 4IOK XPO 0.01638 0.41715 11.4155
186 1OYY AGS 0.001194 0.45642 11.7318
187 1TQ4 GDP 0.0000005107 0.58072 12.2905
188 1F5N GNP 0.00001576 0.52775 12.2905
189 2Q2Y ADP 0.0002766 0.49026 12.2905
190 2Q2Y MKR 0.0002751 0.48912 12.2905
191 5E5U MLI 0.006741 0.42602 12.2905
192 2QZ4 ADP 0.000188 0.48321 12.7854
193 4OI4 ATP 0.0009357 0.44374 12.7854
194 4A4Z ANP 0.006407 0.42122 12.7854
195 3PQC GDP 0.00000001973 0.60274 12.8205
196 1B7T ADP 0.0004093 0.4677 12.8205
197 1JJ7 ADP 0.000003835 0.6197 12.8492
198 1G7C 5GP 0.000001698 0.59359 12.8492
199 2B8W ALF 5GP 0.00002161 0.51747 12.8492
200 5HR5 ADP 0.0004814 0.44311 12.8492
201 2XTZ GSP 0.00000001417 0.58258 13.4078
202 1KO8 6PG 0.00143 0.42981 13.7143
203 5L3R GCP 0.000007072 0.49112 13.9665
204 2IS6 ADP 0.0002314 0.42614 14.1553
205 3ZIA ADP 0.0001039 0.46364 14.2857
206 3ZIA ATP 0.00004868 0.46108 14.2857
207 1KK8 BEF ADP 0.0003373 0.46143 14.3885
208 3RLF ANP 0.0008612 0.44532 14.5251
209 2AWN ADP 0.0000007878 0.4282 14.5251
210 4LC1 GDP 0.0000001122 0.54996 14.6119
211 4R98 GNH 0.0000008308 0.52615 14.6119
212 1L2T ATP 0.001433 0.43745 14.6119
213 5FG3 GDP 0.000000005663 0.58611 15.0838
214 1NRJ GTP 0.00000005578 0.60584 15.1899
215 3DEF GDP 0.000004729 0.5207 15.6425
216 3QF7 ANP 0.00171 0.42647 16
217 5CK5 GDP 0.00000009485 0.54629 16.2011
218 1WF3 GNP 0.0000000114 0.66706 16.7598
219 4AG5 ADP 0.00002429 0.56066 16.895
220 4BAS GNP 0.000000006888 0.6648 17.3184
221 3CX8 GSP 0.00000003134 0.65265 17.3184
222 2ODE ALF GDP 0.0000000335 0.65135 17.3184
223 1SVK ALF GDP 0.0000000565 0.64354 17.3184
224 1KK1 GNP 0.00000002824 0.56241 17.3184
225 3AB3 GDP 0.000002935 0.54793 17.3184
226 3EC1 GDP 0.0000003819 0.54606 17.3184
227 1BH2 GSP 0.00000009886 0.52822 17.3184
228 2OM2 GDP 0.000009549 0.51345 17.3184
229 1Y3A GDP 0.00000832 0.4979 17.3184
230 1GP2 GDP 0.00001047 0.48955 17.3184
231 1G3Q ADP 0.0003233 0.47792 17.3516
232 5GJC ATP 0.00004068 0.45267 17.3516
233 4ZNL BEF ADP 0.0001729 0.43879 17.3516
234 2VB6 ADP BEF 0.0005379 0.45425 17.4497
235 2JLR ANP 0.0002423 0.47281 17.8082
236 1IN4 ADP 0.001061 0.43538 17.8082
237 2WHX ADP 0.00003147 0.42361 17.8082
238 1MKY GDP 0.000000002797 0.60803 17.8771
239 2OFW ADX 0.0007156 0.46988 17.8771
240 2V7Q ATP 0.00003165 0.47627 18.1818
241 2V7Q ADP 0.00006919 0.44674 18.1818
242 1QHH ATP 0.01287 0.40259 18.2609
243 1T5C ADP 0.0000009009 0.44577 18.7215
244 1TAD GDP 0.00000002643 0.5424 18.9944
245 1TAD ALF 0.00000002643 0.5424 18.9944
246 3W5J GDP 0.000004247 0.6046 19.5531
247 1CS4 GSP 0.00000001945 0.55845 21.229
248 1AZT GSP 0.00000001406 0.55275 21.229
249 4IDN GNP 0.000277 0.44356 21.229
250 1Z6T ADP 0.0001893 0.45971 21.4612
251 2HCJ GDP 0.000000002926 0.59182 21.6216
252 1YZG GDP 0.00000009401 0.56893 21.7877
253 4HI0 GDP 0.000006663 0.53255 21.7877
254 3A4M ADP 0.00001223 0.44806 21.7877
255 1GOT GDP 0.00001036 0.52679 21.9178
256 2IYL GDP 0.00003806 0.46252 22.3744
257 2A5F GTP 0.000000002694 0.61802 22.8571
258 1ZJ6 G3D 0.00000007135 0.64977 22.905
259 5KDO GDP 0.000009196 0.51445 22.973
260 5OCA 9QZ 0.01464 0.40029 23.0159
261 2C04 GCP 0.0006806 0.43915 24.0223
262 3P4X ADP 0.00004366 0.44732 24.2009
263 1MR3 G3D 0.000000213 0.55507 24.581
264 4KBF AMP 0.003449 0.43916 25.1397
265 4NCN GTP 0.0000000004455 0.65907 25.6983
266 1UPT GTP 0.000000002416 0.64556 26.6667
267 2GJ8 ALF GDP 0.00000001162 0.57029 28.4884
268 5KSP GDP 0.00000001031 0.68926 28.4916
269 5KSZ GCP 0.00000001838 0.66724 28.4916
270 2RCN GDP 0.000000002646 0.72883 29.0503
271 1KSH GDP 0.0000000008172 0.70145 29.0503
272 1F6B GDP 0.000001069 0.53268 29.0503
273 3H86 AP5 0.002769 0.43792 29.6089
274 3T12 GDP ALF 0.00000001001 0.65774 30.1676
275 3T1O GDP 0.000000504 0.55191 30.1676
276 5HCN GCP 0.00000004393 0.65967 30.7263
277 1R4A GNP 0.000000004533 0.60894 31.3725
278 1FQK ALF 0.000002399 0.62225 34.0782
279 1FQJ GDP 0.000003949 0.54748 34.0782
280 1FQK GDP 0.00001025 0.49534 34.0782
281 1FQJ ALF 0.0000006691 0.47814 34.0782
282 4V0K GDP 0.0000008465 0.52396 35.503
283 3M1I GTP 0.00000000002937 0.78191 35.7542
284 2ZEJ GDP 0.000002453 0.49074 35.7542
285 1O3Y GTP 0.000000005327 0.67285 36.1446
286 1J2J GTP 0.000000001064 0.64529 36.1446
287 3GJ7 GDP 0.000000004637 0.71709 36.3129
288 3GJ5 GDP 0.000000005325 0.70274 36.3129
289 3GJ8 GDP 0.000000004719 0.61948 36.3129
290 1ZD9 GDP 0.00000006577 0.61595 36.3129
291 3GJ4 GDP 0.000000004331 0.60612 36.3129
292 5UWP GNP 0.00000000001903 0.79352 36.8715
293 5UWU GNP 0.00000000001661 0.7929 36.8715
294 5UWI GNP 0.00000000001848 0.79084 36.8715
295 4HAT GNP 0.00000000002212 0.79061 36.8715
296 5UWR GNP 0.00000000001907 0.79024 36.8715
297 5DI9 GNP 0.00000000002447 0.78866 36.8715
298 5UWT GNP 0.00000000002435 0.78553 36.8715
299 1IBR GNP 0.00000000002567 0.78451 36.8715
300 3GJ0 GDP 0.000000006529 0.70994 36.8715
301 5DIF GNP 0.0000000000166 0.66793 36.8715
302 5UWJ GNP 0.00000000001792 0.66679 36.8715
303 5UWQ GNP 0.00000000001925 0.66585 36.8715
304 5UWO GNP 0.00000000002027 0.66508 36.8715
305 5DHF GNP 0.00000000002437 0.66279 36.8715
306 5UWS GNP 0.00000000003091 0.64637 36.8715
307 5BXQ GDP 0.000000003698 0.62163 36.8715
308 3GJ3 GDP 0.000000008226 0.59619 36.8715
309 2KIN ADP 0.0000003569 0.45608 37
310 1S9D GDP 0.0000005815 0.60694 37.1951
311 1RE0 GDP 0.00000008228 0.54948 37.1951
312 1WA5 GTP 0.00000000004032 0.60752 37.5
313 1M2O GNP 0.000000006426 0.67528 38.5475
314 4B47 GDP 0.00000001206 0.70886 39.1061
315 2G77 GDP 0.000000001318 0.67632 40.2235
316 2G77 AF3 0.000002702 0.45524 40.2235
317 1Z06 GNP 0.00000000001774 0.78473 40.7821
318 2QTV GNP 0.00000001653 0.65433 41.3174
319 3RWO GDP 0.00000001142 0.66427 41.8994
320 3Q72 GNP 0.0000000003916 0.62242 42.1687
321 3BC1 GNP 0.0000000001019 0.75474 43.0168
322 2CJW GDP 0.000000001883 0.73595 43.0168
323 1FZQ GDP 0.00000004166 0.67116 43.6464
324 2HT6 GDP 0.000000002161 0.60196 44.2529
325 2BME GNP 0.000000000002999 0.82232 44.6927
326 1YZN GNP 0.00000000002678 0.66034 44.6927
327 1X1R GDP 0.0000000002324 0.62608 44.9438
328 1Z0F GDP 0.0000000001399 0.77703 45.2514
329 2BCG GDP 0.000000001445 0.68711 45.2514
330 5UWH GNP 0.0000000000231 0.66347 45.4545
331 3Q85 GNP 0.000000002975 0.60867 45.5621
332 1OIX GDP 0.0000000002245 0.73959 45.8101
333 1Z0K GTP 0.000000000004757 0.73301 45.9302
334 1OIV GDP 0.000000003364 0.68769 46.3687
335 5UQW GDP 0.0000000002746 0.73248 46.5608
336 2A5J GDP 0.00000000009237 0.77275 46.9274
337 1VG8 GNP 0.00000000008526 0.76138 46.9274
338 1VG0 GDP 0.0000000009688 0.66793 46.9274
339 1VG9 GDP 0.0000000001994 0.66648 46.9274
340 3T5G GDP 0.0000000009953 0.65401 46.9274
341 1VG1 GDP 0.000000000646 0.64875 46.9274
342 2F9L GDP 0.000000004617 0.6193 46.9274
343 1EK0 GNP 0.00000000002231 0.67632 47.0588
344 1XTQ GDP 0.0000000002692 0.72948 47.4576
345 1S8F GDP 0.000000000002667 0.68222 47.4576
346 2HV8 GTP 0.0000000004047 0.72829 47.6744
347 1TU3 GNP 0.000000000002531 0.82558 47.9532
348 4C4P GNP 0.00000000005943 0.76834 47.9769
349 5TAR GDP 0.0000000003874 0.73276 48.1081
350 5TB5 GDP 0.0000000001067 0.69031 48.1081
351 1D5C GDP 0.0000000009301 0.70526 48.1481
352 3MJH GTP 0.000000000001687 0.71429 48.2143
353 1Z2A GDP 0.000000006997 0.61379 48.2143
354 1R2Q GNP 0.000000000005018 0.83733 48.2353
355 1Z0A GDP 0.0000000002534 0.75263 48.2759
356 2D7C GTP 0.0000000003108 0.73335 48.503
357 1YVD GNP 0.00000000002212 0.78402 48.5207
358 1ZC3 GNP 0.00000000009838 0.75863 48.5714
359 1KY3 GDP 0.0000000006461 0.6753 48.6034
360 1YZQ GNP 0.00000000004804 0.65314 48.8235
361 4DSU GDP 0.0000000001726 0.6306 49.162
362 1KAO GDP 0.00000001074 0.65866 49.7006
Pocket No.: 2; Query (leader) PDB : 4XSH; Ligand: NAI; Similar sites found: 31
This union binding pocket(no: 2) in the query (biounit: 4xsh.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3IT7 TLA 0.02972 0.4149 2.1978
2 4YC0 5OF 0.000001561 0.53659 3.35196
3 1SBR VIB 0.0124 0.42287 3.35196
4 5LYH 7B8 0.0006882 0.44706 4.14508
5 2WHL MAN BMA BMA 0.01952 0.41669 4.56621
6 3R75 BEZ 0.02742 0.40486 5.02283
7 4Z9D NAD 0.0001276 0.44958 5.71429
8 1XK9 P34 0.000533 0.43106 6.70391
9 5EWK P34 0.000001175 0.44033 7.26257
10 2CYB TYR 0.03723 0.40119 7.82123
11 1K12 FUC 0.006087 0.44575 8.22785
12 4GID 0GH 0.0492 0.40515 8.6758
13 4NYT PC 0.001496 0.46702 8.93855
14 1OSS BEN 0.02049 0.41149 8.93855
15 2IDO TMP 0.02186 0.41111 9.63855
16 3B82 NAD 0.0006243 0.43744 10.0457
17 5F7Y GLC GAL NAG GAL FUC A2G 0.01622 0.40446 10.6145
18 4GV4 MEJ 0.0002678 0.42693 11.1732
19 3Q9O NAD 0.001038 0.43572 12.2905
20 2Z5Y HRM 0.02345 0.40425 12.2905
21 4MSG 2C6 0.004512 0.41644 12.4424
22 5MX4 HPA 0.02371 0.40932 12.8492
23 1OG1 TAD 0.00000003269 0.59388 13.6986
24 4BUY F37 0.00103 0.4368 18.7215
25 4J3L AJ5 0.0003169 0.42515 19.5238
26 4UI8 IY5 0.0002953 0.46759 21.466
27 2A5F NAD 0.0002468 0.48623 22.8571
28 1EFY BZC 0.00609 0.40981 25.1142
29 5H04 NAI 0.0000001479 0.53422 42.0091
30 2WN6 NDP 0.00003529 0.52586 42.4658
31 4H03 NAD 0.000003604 0.56506 42.9224
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