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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 1443 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 1205 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 1039 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: 262
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 80F 0.65 0.925926
9 6V0 0.649123 0.986842
10 TXE 0.62931 0.948052
11 BA3 0.628866 0.933333
12 AP5 0.622449 0.933333
13 B4P 0.622449 0.933333
14 TXD 0.62069 0.923077
15 AR6 0.613861 0.907895
16 APR 0.613861 0.907895
17 EAD 0.609375 0.961538
18 SAP 0.607843 0.8625
19 AGS 0.607843 0.8625
20 ADP 0.606061 0.907895
21 HEJ 0.60396 0.907895
22 50T 0.60396 0.871795
23 ATP 0.60396 0.907895
24 AN2 0.6 0.896104
25 AT4 0.6 0.873418
26 A22 0.598131 0.921053
27 AQP 0.598039 0.907895
28 5FA 0.598039 0.907895
29 M33 0.594059 0.896104
30 CA0 0.594059 0.909091
31 AD9 0.592233 0.884615
32 NAJ PZO 0.592 0.935897
33 P1H 0.590909 0.9375
34 ACP 0.588235 0.884615
35 4AD 0.587156 0.886076
36 A1R 0.587156 0.851852
37 PRX 0.582524 0.8375
38 ANP 0.580952 0.884615
39 3OD 0.580357 0.909091
40 SRP 0.579439 0.873418
41 ADX 0.578431 0.821429
42 OAD 0.576577 0.909091
43 5AL 0.575472 0.896104
44 NAJ PYZ 0.573643 0.890244
45 A3R 0.572727 0.851852
46 ADJ 0.569106 0.890244
47 UP5 0.566667 0.960526
48 ACQ 0.566038 0.884615
49 9X8 0.5625 0.8625
50 A 0.561224 0.881579
51 AMP 0.561224 0.881579
52 ATF 0.555556 0.873418
53 6YZ 0.550459 0.884615
54 8QN 0.54955 0.896104
55 25L 0.547826 0.921053
56 4TC 0.544715 0.935897
57 AMO 0.544643 0.897436
58 PAJ 0.544643 0.853659
59 ADQ 0.544643 0.909091
60 ABM 0.544554 0.858974
61 NPW 0.544 0.949367
62 WAQ 0.54386 0.851852
63 LAD 0.54386 0.831325
64 PR8 0.54386 0.821429
65 DQV 0.541667 0.946667
66 DG1 0.541353 0.986842
67 1DG 0.541353 0.986842
68 00A 0.539823 0.875
69 NZQ 0.539683 0.974026
70 BIS 0.53913 0.851852
71 1ZZ 0.53913 0.811765
72 APC 0.537736 0.873418
73 OMR 0.536585 0.823529
74 OOB 0.535714 0.921053
75 25A 0.535714 0.907895
76 5SV 0.535714 0.797619
77 3UK 0.535088 0.909091
78 A12 0.533981 0.873418
79 AP2 0.533981 0.873418
80 B5V 0.530435 0.897436
81 DND 0.528455 0.922078
82 NXX 0.528455 0.922078
83 CNA 0.527559 0.922078
84 DLL 0.526316 0.921053
85 AHX 0.526316 0.864198
86 PTJ 0.525862 0.841463
87 ME8 0.525862 0.811765
88 FYA 0.525862 0.871795
89 NB8 0.525862 0.864198
90 B5M 0.525424 0.886076
91 YAP 0.525424 0.886076
92 SRA 0.524752 0.8375
93 SON 0.52381 0.873418
94 TAT 0.522936 0.873418
95 T99 0.522936 0.873418
96 ADP VO4 0.522523 0.871795
97 VO4 ADP 0.522523 0.871795
98 48N 0.520325 0.864198
99 YLP 0.520325 0.793103
100 YLB 0.52 0.793103
101 AU1 0.518868 0.884615
102 ADP PO3 0.518519 0.881579
103 9SN 0.516949 0.864198
104 DAL AMP 0.513274 0.871795
105 TXA 0.512821 0.897436
106 B5Y 0.512605 0.886076
107 FA5 0.512605 0.897436
108 GAP 0.509091 0.860759
109 9ZA 0.508772 0.851852
110 9ZD 0.508772 0.851852
111 4UU 0.508197 0.960526
112 YLC 0.507937 0.833333
113 T5A 0.507812 0.925926
114 RBY 0.504587 0.873418
115 ADV 0.504587 0.873418
116 TYR AMP 0.504132 0.8625
117 4UW 0.504 0.924051
118 TXP 0.503876 0.911392
119 ALF ADP 0.5 0.817073
120 G3A 0.5 0.8875
121 F2R 0.5 0.813953
122 TYM 0.5 0.897436
123 ADP ALF 0.5 0.817073
124 LAQ 0.5 0.811765
125 COD 0.496183 0.786517
126 139 0.496124 0.9125
127 YLA 0.496124 0.813953
128 G5P 0.495935 0.8875
129 AFH 0.495935 0.853659
130 XAH 0.495868 0.811765
131 BT5 0.492424 0.784091
132 AYB 0.492308 0.784091
133 A4P 0.492188 0.880952
134 GTA 0.491935 0.855422
135 4UV 0.491803 0.960526
136 A2R 0.491228 0.896104
137 MAP 0.486957 0.8625
138 NAD 0.484848 0.921053
139 XNP 0.484848 0.936709
140 UPA 0.484375 0.948052
141 7MD 0.483871 0.833333
142 ARG AMP 0.483871 0.781609
143 MYR AMP 0.483333 0.790698
144 NA7 0.483051 0.873418
145 YLY 0.477941 0.784091
146 ATR 0.477477 0.881579
147 AOC 0.47619 0.792208
148 ATP A A A 0.47541 0.894737
149 BTX 0.473684 0.793103
150 5AS 0.472222 0.736264
151 GA7 0.472 0.873418
152 LMS 0.471154 0.77907
153 NAQ 0.471014 0.864198
154 ADP BMA 0.470588 0.884615
155 N0B 0.467626 0.835294
156 A A 0.466667 0.883117
157 A3D 0.466667 0.909091
158 NJP 0.466165 0.910256
159 IOT 0.465649 0.784091
160 AF3 ADP 3PG 0.465116 0.809524
161 PAP 0.464286 0.894737
162 NAE 0.463768 0.886076
163 7MC 0.461538 0.813953
164 DZD 0.459259 0.876543
165 ZID 0.457143 0.909091
166 TAD 0.456693 0.853659
167 2A5 0.455357 0.8375
168 62F 0.453947 0.833333
169 AHZ 0.453125 0.790698
170 FB0 0.452055 0.76087
171 JB6 0.45082 0.851852
172 ITT 0.45045 0.857143
173 7D4 0.45045 0.825
174 LPA AMP 0.449612 0.790698
175 G5A 0.447368 0.755556
176 LEU LMS 0.446281 0.731183
177 M24 0.446043 0.843373
178 AVV 0.445378 0.841463
179 NDC 0.442177 0.864198
180 NSS 0.441667 0.775281
181 4TA 0.441176 0.890244
182 VMS 0.440678 0.764045
183 54H 0.440678 0.764045
184 7D3 0.440367 0.825
185 5CD 0.44 0.753247
186 PPS 0.439655 0.8
187 XYA 0.438776 0.789474
188 ADN 0.438776 0.789474
189 RAB 0.438776 0.789474
190 NDE 0.438356 0.897436
191 NVA LMS 0.438017 0.731183
192 AR6 AR6 0.4375 0.883117
193 TSB 0.436975 0.793103
194 53H 0.436975 0.755556
195 8X1 0.436975 0.731183
196 DTA 0.436893 0.759494
197 A2P 0.436364 0.868421
198 A3P 0.436364 0.881579
199 A5A 0.435897 0.781609
200 FNK 0.435065 0.840909
201 HFD 0.434783 0.8625
202 ODP 0.433824 0.924051
203 SFG 0.433628 0.725
204 Z5A 0.433566 0.858824
205 6FA 0.433333 0.835294
206 SSA 0.432203 0.775281
207 J7C 0.431193 0.702381
208 DTP 0.431034 0.825
209 P5A 0.430894 0.723404
210 AMP NAD 0.430657 0.896104
211 5N5 0.43 0.766234
212 DSZ 0.429752 0.775281
213 LSS 0.429752 0.73913
214 52H 0.428571 0.755556
215 SFD 0.427632 0.731959
216 9K8 0.427419 0.712766
217 6AD 0.42735 0.831325
218 EP4 0.427184 0.707317
219 FDA 0.426667 0.870588
220 ARU 0.42623 0.788235
221 6RE 0.425926 0.694118
222 A4D 0.425743 0.766234
223 5CA 0.425 0.775281
224 3DH 0.424528 0.725
225 AV2 0.423729 0.835443
226 AMP DBH 0.421875 0.860759
227 U A 0.421429 0.923077
228 DAT 0.421053 0.825
229 5X8 0.421053 0.7375
230 GSU 0.419355 0.755556
231 MTA 0.419048 0.725
232 3AT 0.418803 0.883117
233 ETB 0.41844 0.786517
234 DCA 0.41844 0.777778
235 FAD 0.418301 0.845238
236 FAS 0.418301 0.845238
237 A3N 0.418182 0.759494
238 F2N 0.417178 0.850575
239 7D5 0.415094 0.8
240 A U 0.414815 0.910256
241 YSA 0.414062 0.775281
242 0T1 0.412587 0.777778
243 A C A C 0.411348 0.8875
244 2AM 0.411215 0.857143
245 9JJ 0.409938 0.855422
246 M2T 0.409524 0.690476
247 KAA 0.408 0.731183
248 7C5 0.407692 0.790123
249 3AM 0.407407 0.844156
250 NAP 0.406897 0.909091
251 8PZ 0.40625 0.795455
252 PUA 0.405594 0.9
253 FAY 0.405063 0.855422
254 P5F 0.404908 0.83908
255 EEM 0.403361 0.670455
256 COA 0.402778 0.777778
257 RFL 0.402516 0.816092
258 GJV 0.401786 0.686047
259 SA8 0.401709 0.686047
260 U A C C 0.401408 0.898734
261 WSA 0.4 0.784091
262 G A A A 0.4 0.841463
Ligand no: 2; Ligand: GSP; Similar ligands found: 139
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 9GM 0.770115 0.925
10 GMV 0.767442 0.925
11 G 0.756098 0.935897
12 5GP 0.756098 0.935897
13 G2R 0.747253 0.91358
14 GDD 0.744681 0.91358
15 GDC 0.744681 0.91358
16 GKE 0.744681 0.91358
17 GPG 0.73913 0.91358
18 GTG 0.736842 0.891566
19 G3A 0.729167 0.925
20 G5P 0.721649 0.925
21 GDR 0.71875 0.91358
22 GFB 0.71875 0.91358
23 GAV 0.714286 0.987179
24 GP2 0.712644 0.91358
25 6CK 0.71134 0.891566
26 Y9Z 0.708333 0.860465
27 JB2 0.69697 0.91358
28 GKD 0.69697 0.91358
29 G2P 0.692308 0.91358
30 GDX 0.69 0.925
31 GPD 0.69 0.880952
32 ALF 5GP 0.67033 0.847059
33 0O2 0.666667 0.935897
34 YGP 0.663265 0.858824
35 JB3 0.657143 0.902439
36 GDP ALF 0.645833 0.847059
37 GDP AF3 0.645833 0.847059
38 ALF GDP 0.645833 0.847059
39 GMP 0.641975 0.835443
40 G3D 0.638298 0.935897
41 NGD 0.635514 0.91358
42 2MD 0.633027 0.894118
43 CAG 0.630631 0.840909
44 G4P 0.625 0.935897
45 FEG 0.62037 0.83908
46 U2G 0.62037 0.891566
47 G G 0.617647 0.901235
48 MGD 0.616071 0.894118
49 ZGP 0.614679 0.872093
50 CG2 0.609091 0.891566
51 TPG 0.598291 0.804348
52 3GP 0.595506 0.898734
53 GDP 7MG 0.590476 0.86747
54 GH3 0.581633 0.924051
55 PGD 0.581197 0.926829
56 MD1 0.581197 0.894118
57 2GP 0.577778 0.911392
58 GCP G 0.563107 0.875
59 DGT 0.561224 0.878049
60 DBG 0.558333 0.902439
61 G1G 0.550847 0.880952
62 AGS 0.547368 0.924051
63 SAP 0.547368 0.924051
64 FE9 0.546219 0.8
65 A G 0.543103 0.888889
66 G4M 0.539062 0.840909
67 U A G G 0.538462 0.888889
68 G A A A 0.529915 0.878049
69 MGP 0.525253 0.91358
70 GPX 0.524272 0.898734
71 BGO 0.521739 0.879518
72 DGI 0.520408 0.878049
73 6G0 0.52 0.91358
74 IDP 0.515464 0.923077
75 R7I 0.51 0.898734
76 R5I 0.51 0.898734
77 GGM 0.508475 0.858824
78 G1R G1R 0.508065 0.879518
79 PGD O 0.504 0.875
80 AKW 0.495726 0.915663
81 G U 0.491525 0.857143
82 GTA 0.486726 0.891566
83 P2G 0.484536 0.839506
84 GPC 0.483607 0.83908
85 G C 0.483333 0.857143
86 P1G 0.474747 0.829268
87 DG 0.474227 0.865854
88 DGP 0.474227 0.865854
89 BA3 0.46875 0.85
90 IMP 0.463918 0.910256
91 B4P 0.463918 0.85
92 AP5 0.463918 0.85
93 G2Q 0.462963 0.91358
94 G G G RPC 0.459016 0.833333
95 APC G U 0.456 0.843373
96 ATP 0.45 0.873418
97 HEJ 0.45 0.873418
98 G G G C 0.448819 0.869048
99 A2D 0.447917 0.85
100 5FA 0.445545 0.873418
101 AQP 0.445545 0.873418
102 A G C C 0.445312 0.86747
103 G7M 0.444444 0.901235
104 G U34 0.442623 0.847059
105 01G 0.442478 0.860465
106 ITT 0.44 0.825
107 SGP 0.44 0.876543
108 HFD 0.436893 0.831325
109 G C C C 0.431818 0.879518
110 AT4 0.43 0.911392
111 AN2 0.43 0.8625
112 DG DG 0.428571 0.825581
113 A4P 0.42623 0.829545
114 UCG 0.424242 0.86747
115 PCG 0.423077 0.886076
116 C2E 0.423077 0.875
117 35G 0.423077 0.886076
118 MGO 0.420561 0.823529
119 ADP 0.42 0.873418
120 ANP 0.419048 0.851852
121 5GP 5GP 0.419048 0.839506
122 ADQ 0.418182 0.829268
123 7DT 0.417476 0.860759
124 AR6 0.417476 0.85
125 APR 0.417476 0.85
126 PRT 0.417391 0.910256
127 C1Z 0.415929 0.935897
128 A G U 0.414286 0.847059
129 AD9 0.413462 0.851852
130 UP5 0.413223 0.831325
131 A22 0.412844 0.8625
132 25L 0.412281 0.8625
133 M33 0.411765 0.839506
134 JBT 0.410405 0.783505
135 ACP 0.407767 0.851852
136 6YZ 0.407407 0.851852
137 ACQ 0.40566 0.851852
138 A1R 0.405405 0.8
139 A G U U 0.4 0.847059
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XSH; Ligand: GSP; Similar sites found with APoc: 482
This union binding pocket(no: 1) in the query (biounit: 4xsh.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4FCW ADP 1.67598
2 3ZS9 ADP ALF 2.7933
3 2WOJ ADP ALF 2.7933
4 5U32 GDP 3.19635
5 1G6O ADP 3.19635
6 1NN5 2DT 3.25581
7 1NN5 ANP 3.25581
8 2WIC GNP 3.35196
9 1D2E GDP 3.35196
10 3TK1 GDP 3.35196
11 2CHG ANP 3.35196
12 5NLD LBT 3.59712
13 3BFV ADP 3.65297
14 4PX9 ADP 3.65297
15 1YQT ADP 3.91061
16 2ZFI ADP 3.91061
17 3FWY ADP 3.91061
18 5BQ5 ADP BEF 3.91061
19 3KTA AP5 3.91061
20 4FRZ ADP 3.91061
21 4MKF AP5 3.91061
22 1UJ2 ADP 3.91061
23 1UJ2 C5P 3.91061
24 4IEE AGS 4.10959
25 1D2N ANP 4.10959
26 3L6C MLI 4.10959
27 2ORV 4TA 4.10959
28 1W5T ANP 4.10959
29 1W5T ADP 4.10959
30 4GLL NAD 4.10959
31 5ZBR ANP 4.46927
32 1JI0 ATP 4.46927
33 2XAU ADP 4.46927
34 4GOX A3P 4.46927
35 4UXH T5A 4.46927
36 5ZB0 ADP 4.54545
37 5ZB0 TYD 4.54545
38 1NJF ADP 4.56621
39 1NJF AGS 4.56621
40 2GDJ ANP 4.56621
41 5YV5 ADP 4.56621
42 4NZ6 DGL 4.56621
43 1OE0 TTP 4.56621
44 1W4R TTP 4.61538
45 6AIC AMP 4.6729
46 4QM7 GTP 4.67836
47 5EXT ADP 5
48 3MD0 GDP 5.02283
49 2GK6 ADP 5.02283
50 3FSY SCA 5.02283
51 2C78 GNP 5.02793
52 2C77 GNP 5.02793
53 2WJG GDP 5.02793
54 1GOJ ADP 5.02793
55 2XT3 ADP 5.02793
56 4ZG4 VO4 ADP 5.02793
57 3E70 GDP 5.02793
58 2XTN GTP 5.02793
59 5L3W GDP 5.02793
60 3DZD ADP 5.02793
61 2BIF ANP 5.02793
62 2BIF SIN 5.02793
63 3KJI ADP 5.02793
64 5N69 ADP 5.02793
65 3BOS CDP 5.02793
66 1R6B ADP 5.02793
67 6B8B ADP 5.02793
68 2J5V PCA 5.02793
69 4BQS K2Q 5.11364
70 4BQS ADP 5.11364
71 4CVN ADP 5.2356
72 4QRH 0O2 5.2381
73 2BVN GNP 5.47945
74 1D8T GDP 5.47945
75 1DAK DPU 5.47945
76 1DAK ADP 5.47945
77 2ZR9 DTP 5.47945
78 5AK0 8V1 5.47945
79 2FAH GDP 5.47945
80 1X6V ADP 5.47945
81 4NU0 AP5 5.52995
82 5KUT GDP 5.58659
83 4NON GDP 5.58659
84 6G14 G4P 5.58659
85 4KFU ACP 5.58659
86 1G7S GDP 5.58659
87 2DPY ADP 5.58659
88 1SQ5 ADP 5.58659
89 4R2I ANP 5.58659
90 4HSE ADP 5.58659
91 1IHU AF3 5.58659
92 1IHU ADP 5.58659
93 4YMU ATP 5.58659
94 2QG6 NMN 5.58659
95 3NHB ADP 5.58659
96 5NM7 GLY 5.58659
97 1U3G ADP 5.58659
98 1APZ ASP 5.67376
99 5UIV ADP 5.72687
100 1DCP HBI 5.76923
101 4WOP CTP 5.77778
102 3H4S ADP 5.92593
103 1SKQ GDP 5.93607
104 5BN3 ADP 5.93607
105 1K6M AGS 5.93607
106 1GVF PGH 5.93607
107 1ZUI SKM 5.95238
108 1W7J ADP BEF 5.96026
109 3FB4 AP5 6.01852
110 2WJH GDP 6.0241
111 2WJH FLC 6.0241
112 4TTQ ATP 6.04651
113 4P4T GDP 6.14525
114 5I0H ADP BEF 6.14525
115 2CDN ADP 6.14525
116 1LVK MNT BEF 6.14525
117 4MKG AP5 6.14525
118 1SVM ATP 6.14525
119 5X40 ACP 6.14525
120 1QF9 C5P 6.18557
121 1QF9 ADP 6.18557
122 1QF9 ALF 6.18557
123 2VVG ADP 6.39269
124 1XKV ATP 6.39269
125 3VX3 ADP 6.39269
126 1FNN ADP 6.39269
127 3R7F CP 6.39269
128 1BO4 COA 6.54762
129 1LVG ADP 6.56566
130 2Y65 ADP 6.70391
131 3COB ADP 6.70391
132 5XKT GNP 6.70391
133 4H1V GNP 6.70391
134 2QEN ADP 6.70391
135 4BFW ZVW 6.70391
136 1YTM ATP 6.70391
137 6B4K ANP 6.70391
138 4QOS ADP 6.70391
139 4LJ9 ACP 6.70391
140 1DNP MHF 6.70391
141 4ZDJ UTP 6.70391
142 1NHX FTB 6.70391
143 1RRC ADP 6.70391
144 1NHX PEP 6.70391
145 2GMV UN8 6.70391
146 4PJ3 ANP 6.70391
147 2GMV PEP 6.70391
148 1F2U ATP 6.75676
149 1JJV ATP 6.79612
150 3A1S GDP 6.84932
151 3ZQ6 ADP ALF 6.84932
152 3FYH ADP 6.84932
153 2BEK ATP 7.26257
154 2PEZ DAT 7.26257
155 2PEZ GGZ 7.26257
156 4D81 ADP 7.26257
157 2QQ0 ANP 7.26257
158 2QQ0 TMP 7.26257
159 2QQ0 ADP 7.26257
160 1OS1 PYR 7.26257
161 2QQ0 THM 7.26257
162 1OS1 ATP 7.26257
163 2YOH WMJ 7.26257
164 4WZ6 ATP 7.26257
165 5TIV A3P 7.26257
166 3QVV A3P 7.26257
167 3CV2 OXL 7.26257
168 4YS0 ADP 7.26257
169 2CE7 ADP 7.30594
170 3BFX A3P 7.30594
171 4O48 ASP 7.30594
172 2ZFZ ARG 7.59494
173 1YRB GDP 7.76256
174 2WZF BGC 7.76256
175 2IXE ATP 7.76256
176 1VHT BA3 7.79817
177 4Q1A 2XZ 7.82123
178 4Q1A UDP 7.82123
179 4XTR ATP 7.82123
180 4XVU ATP 7.82123
181 4XTR ADP 7.82123
182 1ZIN AP5 7.82123
183 5I34 GDP 7.82123
184 2ZJ5 ADP 7.82123
185 1G41 ADP 7.82123
186 3BER AMP 7.82123
187 3UIE ANP 8
188 1OFH ADP 8.04598
189 4M9Q GNP 8.21918
190 1PUJ GNP 8.21918
191 4R43 GDP 8.21918
192 2NCD ADP 8.21918
193 1ION ADP 8.21918
194 2QN6 GDP 8.37989
195 4RD0 GDP 8.37989
196 1DAR GDP 8.37989
197 1IWE IMP 8.37989
198 2ZPA ADP 8.37989
199 3QXC ATP 8.37989
200 3WXM GTP 8.6758
201 5LB3 ADP 8.6758
202 3B9Q MLI 8.6758
203 5L3V GDP 8.6758
204 5L3S GNP 8.6758
205 1U0J ADP 8.6758
206 2GKS ADP 8.6758
207 5L3S G 8.6758
208 3TMK T5A 8.7963
209 1OXV ANP 8.93855
210 2D2F ADP 8.93855
211 1AKY AP5 8.93855
212 1UKZ ADP 8.93855
213 4DCT GDP 9.13242
214 2OG2 MLI 9.13242
215 4DDY DN6 9.13242
216 1H65 GDP 9.13242
217 4NE2 ADP 9.13242
218 4NE2 SH2 9.13242
219 3IUY AMP 9.13242
220 4PFO ADP 9.13242
221 3IIJ ADP 9.44444
222 4U00 ADP 9.49721
223 1M7G AV2 9.49721
224 2HF9 GSP 9.49721
225 1M7G ADX 9.49721
226 1M7G ADP 9.49721
227 2ZUX RAM 9.49721
228 2PL3 ADP 9.49721
229 3FVQ ATP 9.58904
230 1XEX ATP 9.88372
231 2FH5 GTP 10.0457
232 5M04 GDP 10.0457
233 5MZN ADP 10.0457
234 2NV2 GLN 10.0457
235 1BG2 ADP 10.0559
236 1FP6 ADP 10.0559
237 1G8S MET 10.0559
238 1QF5 RPL 10.5023
239 1QF5 GDP 10.5023
240 3DKP ADP 10.5023
241 3UG4 AHR 10.5023
242 1SVI GDP 10.6145
243 4WZA ACP 10.6145
244 4WZA ADP 10.6145
245 3B5J 12D 10.6145
246 5TSH ANP 10.6145
247 5TSH ADP 10.6145
248 1XX6 ADP 10.6145
249 5GVR LMR 10.6145
250 3TBK ANP 10.6145
251 3B7G ANP 10.6145
252 1P72 ADP 10.6145
253 1NY5 ADP 10.6145
254 2C9O ADP 10.6145
255 2W58 ADP 10.8911
256 1W0J ADP 10.9589
257 2CK3 ANP 10.9589
258 1W0J ADP BEF 10.9589
259 2CK3 ADP 10.9589
260 3DC4 ADP 11.1732
261 1Z83 AP5 11.1732
262 3RC3 ANP 11.1732
263 4LPS GDP 11.4155
264 1V8K ANP 11.4155
265 3ZFD ANP 11.4155
266 1F9V ADP 11.4155
267 4IOK XPO 11.4155
268 4IOK ADP 11.4155
269 1G6H ADP 11.4155
270 1S3G AP5 11.5207
271 4X8O AP5 11.6822
272 2X7I CIT 11.7318
273 1OYY AGS 11.7318
274 1TQ4 GDP 12.2905
275 2Q2Y ADP 12.2905
276 2Q2Y MKR 12.2905
277 1F5N GNP 12.2905
278 3HU3 AGS 12.2905
279 5E5U MLI 12.2905
280 1E2K TMC 12.3288
281 2O0J ADP 12.3288
282 2QZ4 ADP 12.7854
283 4OI4 ATP 12.7854
284 2FSH ANP 12.7854
285 4A4Z ANP 12.7854
286 3PQC GDP 12.8205
287 1B7T ADP 12.8205
288 1JJ7 ADP 12.8492
289 1G7C 5GP 12.8492
290 1B0U ATP 12.8492
291 2B8W ALF 5GP 12.8492
292 5HR5 ADP 12.8492
293 1T8U UAP SGN IDS SGN 12.8492
294 1Q20 A3P 12.8492
295 1Q20 PLO 12.8492
296 2XTZ GSP 13.4078
297 1P9B GDP 13.4078
298 1KO8 6PG 13.7143
299 5L3R GCP 13.9665
300 2RGX AP5 14.0777
301 2IS6 ADP 14.1553
302 3ZIA ADP 14.2857
303 3ZIA ATP 14.2857
304 1KK8 BEF ADP 14.3885
305 2AWN ADP 14.5251
306 3RLF ANP 14.5251
307 4LC1 GDP 14.6119
308 4R98 GNH 14.6119
309 1L2T ATP 14.6119
310 5YT0 GDP 15.0838
311 5FG3 GDP 15.0838
312 5ZXD ATP 15.0838
313 1NRJ GTP 15.1899
314 6DEF GCP 15.5251
315 3DEF GDP 15.6425
316 3ITJ CIT 15.6425
317 3QF7 ANP 16
318 5CK5 GDP 16.2011
319 5Z69 AGS 16.2011
320 1VKJ A3P 16.4384
321 1GXU 2HP 16.4835
322 1WF3 GNP 16.7598
323 1CR1 TTP 16.7598
324 1XP8 AGS 16.7598
325 4AG5 ADP 16.895
326 1KK1 GNP 17.3184
327 4BAS GNP 17.3184
328 3CX8 GSP 17.3184
329 1BH2 GSP 17.3184
330 3EC1 GDP 17.3184
331 3AB3 GDP 17.3184
332 2ODE ALF GDP 17.3184
333 6CRK GDP 17.3184
334 1Y3A GDP 17.3184
335 1GP2 GDP 17.3184
336 1SVK ALF GDP 17.3184
337 2OM2 GDP 17.3184
338 5Y6N ADP 17.3516
339 4ZNL BEF ADP 17.3516
340 1G3Q ADP 17.3516
341 2VB6 ADP BEF 17.4497
342 2WHX ADP 17.8082
343 4IHQ ADP 17.8082
344 2JLR ANP 17.8082
345 1IN4 ADP 17.8082
346 1MKY GDP 17.8771
347 2OFW ADX 17.8771
348 2V7Q ATP 18.1818
349 2V7Q ADP 18.1818
350 1QHH ATP 18.2609
351 1T5C ADP 18.7215
352 1TAD ALF 18.9944
353 1TAD GDP 18.9944
354 1XMV ADP 19.1781
355 3W5J GDP 19.5531
356 4TL6 ANP 20.0913
357 3QKT ANP 20.5479
358 1CS4 GSP 21.229
359 4IDN GNP 21.229
360 1Z6T ADP 21.4612
361 2HCJ GDP 21.6216
362 6AU6 GDP 21.7877
363 1YZG GDP 21.7877
364 3A4M ADP 21.7877
365 4HI0 GDP 21.7877
366 1GOT GDP 21.9178
367 2IYL GDP 22.3744
368 2A5F GTP 22.8571
369 1ZJ6 G3D 22.905
370 5KDO GDP 22.973
371 5OCA 9QZ 23.0159
372 6CS8 F9Y 23.4637
373 1RJ9 GCP 24.0223
374 3P4X ADP 24.2009
375 1MR3 G3D 24.581
376 6C90 ADP 25
377 2D7D ADP 25
378 4KBF AMP 25.1397
379 4NCN GTP 25.6983
380 1UPT GTP 26.6667
381 2GJ8 ALF GDP 28.4884
382 5KSP GDP 28.4916
383 5KSZ GCP 28.4916
384 1KSH GDP 29.0503
385 2RCN GDP 29.0503
386 1F6B GDP 29.0503
387 3H86 AP5 29.6089
388 3T12 GDP ALF 30.1676
389 3T1O GDP 30.1676
390 5HCN GCP 30.7263
391 1R4A GNP 31.3725
392 5XC5 GTP 33.5227
393 1FQJ ALF 34.0782
394 1FQK ALF 34.0782
395 1FQJ GDP 34.0782
396 1FQK GDP 34.0782
397 4V0K GDP 35.503
398 3M1I GTP 35.7542
399 2ZEJ GDP 35.7542
400 1J2J GTP 36.1446
401 1O3Y GTP 36.1446
402 3GJ4 GDP 36.3129
403 3GJ7 GDP 36.3129
404 3GJ5 GDP 36.3129
405 3GJ8 GDP 36.3129
406 1ZD9 GDP 36.3129
407 5UWP GNP 36.8715
408 5DIF GNP 36.8715
409 5UWU GNP 36.8715
410 4HAT GNP 36.8715
411 5UWQ GNP 36.8715
412 5UWO GNP 36.8715
413 6CIT GNP 36.8715
414 5UWT GNP 36.8715
415 5DHF GNP 36.8715
416 5UWS GNP 36.8715
417 5BXQ GDP 36.8715
418 3GJ3 GDP 36.8715
419 3CH5 GDP 36.8715
420 5UWJ GNP 36.8715
421 5UWI GNP 36.8715
422 5UWR GNP 36.8715
423 1IBR GNP 36.8715
424 5DI9 GNP 36.8715
425 3GJ0 GDP 36.8715
426 2KIN ADP 37
427 1RE0 GDP 37.1951
428 1S9D GDP 37.1951
429 1WA5 GTP 37.5
430 1M2O GNP 38.5475
431 4B47 GDP 39.1061
432 2G77 GDP 40.2235
433 2G77 AF3 40.2235
434 1Z06 GNP 40.7821
435 2QTV GNP 41.3174
436 3RWO GDP 41.8994
437 3Q72 GNP 42.1687
438 3BC1 GNP 43.0168
439 2CJW GDP 43.0168
440 1FZQ GDP 43.6464
441 2HT6 GDP 44.2529
442 2BME GNP 44.6927
443 1YZN GNP 44.6927
444 1X1R GDP 44.9438
445 2BCG GDP 45.2514
446 1Z0F GDP 45.2514
447 5UWH GNP 45.4545
448 3Q85 GNP 45.5621
449 1OIX GDP 45.8101
450 1Z0K GTP 45.9302
451 1OIV GDP 46.3687
452 5UQW GDP 46.5608
453 1VG1 GDP 46.9274
454 1VG0 GDP 46.9274
455 5O74 GDP 46.9274
456 2A5J GDP 46.9274
457 1VG9 GDP 46.9274
458 3T5G GDP 46.9274
459 1VG8 GNP 46.9274
460 2F9L GDP 46.9274
461 1EK0 GNP 47.0588
462 5Z2M GTP 47.1591
463 6BSX GDP 47.191
464 6BSX E7S 47.191
465 1S8F GDP 47.4576
466 2HV8 GTP 47.6744
467 1TU3 GNP 47.9532
468 4C4P GNP 47.9769
469 5TB5 GDP 48.1081
470 5TAR GDP 48.1081
471 1D5C GDP 48.1481
472 3MJH GTP 48.2143
473 1Z2A GDP 48.2143
474 1R2Q GNP 48.2353
475 1Z0A GDP 48.2759
476 2D7C GTP 48.503
477 1YVD GNP 48.5207
478 1ZC3 GNP 48.5714
479 1KY3 GDP 48.6034
480 1YZQ GNP 48.8235
481 5OCG GNP 49.162
482 1KAO GDP 49.7006
Pocket No.: 2; Query (leader) PDB : 4XSH; Ligand: NAI; Similar sites found with APoc: 78
This union binding pocket(no: 2) in the query (biounit: 4xsh.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 3IT7 TLA 2.1978
2 4LSJ LSJ 2.23464
3 1WLJ U5P 2.6455
4 3F81 STT 2.7933
5 5LX6 78P 3.14136
6 4YC0 5OF 3.35196
7 1SBR VIB 3.35196
8 4Y7E BMA BMA BMA 3.65297
9 6A46 DCM 3.65297
10 1Q11 TYE 3.65297
11 1ZGS XMM 4.10959
12 1UTJ ABN 4.10959
13 5LYH 7B8 4.14508
14 4OKE AMP 4.7619
15 3R75 BEZ 5.02283
16 1K0E TRP 5.02283
17 4YJK URA 5.47945
18 3QPB URA 5.58659
19 2GPT SKM 5.58659
20 4Z9D NAD 5.71429
21 5AHN IMP 5.93607
22 3I7V B4P 5.97015
23 6EK3 OUL 6.14525
24 1NW4 IMH 6.14525
25 3BJE URA 6.14525
26 2OUA AES 6.38298
27 1I2L DCS 6.39269
28 1XK9 P34 6.70391
29 4K30 NLG 6.875
30 5EWK P34 7.26257
31 1USF NAP 7.30337
32 1UA4 AMP 7.30594
33 2RNF UM3 7.5
34 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 7.82123
35 2CYB TYR 7.82123
36 1K12 FUC 8.22785
37 6AM8 TRP 8.37989
38 4GID 0GH 8.6758
39 4NYT PC 8.93855
40 1OSS BEN 8.93855
41 2IDO TMP 9.63855
42 5ZJ5 NAI 9.87654
43 3B82 NAD 10.0457
44 3LGS ADE 10.0457
45 4RF7 ARG 10.0559
46 1QKQ MAN 10.5634
47 5F7Y GLC GAL NAG GAL FUC A2G 10.6145
48 5F7N NAG GAL FUC FUC A2G 10.6145
49 5K3W PLP 10.9589
50 1VHW ADN 10.9589
51 1TOX NAD 11.1732
52 4GV4 MEJ 11.1732
53 3KVY URA 11.1732
54 3MBC NAP 11.1732
55 5YSI NCA 11.1842
56 4WOH 4NP 12.0482
57 3Q9O NAD 12.2905
58 2Z5Y HRM 12.2905
59 4MSG 2C6 12.4424
60 5O6Y 5YA 12.8492
61 1OG1 TAD 13.6986
62 4OGQ 7PH 13.9665
63 3ESS 18N 14.5251
64 5WJ6 B4A 14.5251
65 3E7S AT2 14.6119
66 2LIG ASP 15.2439
67 6BHV DQV 15.5251
68 4PJT 2YQ 15.5251
69 2Z3U CRR 15.6425
70 6F5W KG1 17.8771
71 4BUY F37 18.7215
72 4J3L AJ5 19.5238
73 5NWD 9C8 21.466
74 2A5F NAD 22.8571
75 1EFY BZC 25.1142
76 5H04 NAI 42.0091
77 2WN6 NDP 42.4658
78 4H03 NAD 42.9224
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