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Receptor
PDB id Resolution Class Description Source Keywords
1S3Z 2 Å EC: 2.3.1.82 AMINOGLYCOSIDE N-ACETYLTRANSFERASE AAC(6')-IY IN COMPLEX WIT RIBOSTAMYCIN SALMONELLA ENTERITIDIS GNAT N-ACETYLTRANSFERASE ACETYLTRANSFERASE AMINOGLYCOSIDERIBOSTAMYCIN TRANSFERASE
Ref.: A BACTERIAL ACETYLTRANSFERASE CAPABLE OF REGIOSELEC N-ACETYLATION OF ANTIBIOTICS AND HISTONES CHEM.BIOL. V. 11 565 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COA A:600;
B:601;
Valid;
Valid;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
NI A:700;
Part of Protein;
none;
submit data
58.693 Ni [Ni+2...
RIO A:500;
B:501;
Valid;
Valid;
none;
none;
submit data
454.473 C17 H34 N4 O10 C1[C@...
SO4 A:800;
B:801;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VBQ 2 Å EC: 2.3.1.82 STRUCTURE OF AAC(6')-IY IN COMPLEX WITH BISUBSTRATE ANALOG C MONOMETHYL-ACETYLNEAMINE. SALMONELLA CHOLERAESUIS AMINOGLYCOSIDE ACETYLTRANSFERASE DRUG RESISTANCE BISUBSTRINHIBITOR TRANSFERASE
Ref.: KINETIC AND STRUCTURAL ANALYSIS OF BISUBSTRATE INHI THE SALMONELLA ENTERICA AMINOGLYCOSIDE 6'-N-ACETYLTRANSFERASE. BIOCHEMISTRY V. 47 579 2008
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2VBQ Ki < 41 uM BSJ C36 H62 N11 O23 P3 S CC(C)(CO[P....
2 1S3Z - RIO C17 H34 N4 O10 C1[C@H]([C....
3 1S5K - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2VBQ Ki < 41 uM BSJ C36 H62 N11 O23 P3 S CC(C)(CO[P....
2 1S3Z - RIO C17 H34 N4 O10 C1[C@H]([C....
3 1S5K - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2VBQ Ki < 41 uM BSJ C36 H62 N11 O23 P3 S CC(C)(CO[P....
2 1S3Z - RIO C17 H34 N4 O10 C1[C@H]([C....
3 1S5K - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: COA; Similar ligands found: 211
No: Ligand ECFP6 Tc MDL keys Tc
1 COA 1 1
2 0T1 0.894737 0.976744
3 DCA 0.893805 0.954023
4 COS 0.887931 0.977012
5 ETB 0.877193 0.920455
6 AMX 0.871795 0.988235
7 30N 0.871795 0.913979
8 CAO 0.871795 0.965909
9 CMX 0.864407 0.976744
10 SCO 0.864407 0.976744
11 ACO 0.857143 0.965909
12 FCX 0.857143 0.94382
13 FAM 0.857143 0.954545
14 HAX 0.85 0.954545
15 3KK 0.842975 0.977012
16 FYN 0.842975 1
17 SOP 0.836066 0.977012
18 MCD 0.836066 0.954545
19 OXK 0.836066 0.977012
20 CA6 0.836066 0.885417
21 COK 0.836066 0.977012
22 CO6 0.829268 0.977012
23 NMX 0.829268 0.903226
24 1VU 0.829268 0.965909
25 CMC 0.829268 0.977012
26 CAJ 0.822581 0.954545
27 SCD 0.822581 0.976744
28 2MC 0.822581 0.934066
29 2CP 0.81746 0.965909
30 A1S 0.816 0.977012
31 3HC 0.816 0.988372
32 IVC 0.816 0.988372
33 1HE 0.816 0.955056
34 MLC 0.816 0.977012
35 BCO 0.816 0.977012
36 COD 0.810345 0.988235
37 COO 0.809524 0.977012
38 MCA 0.809524 0.965909
39 CAA 0.809524 0.988372
40 YE1 0.809524 0.965517
41 MC4 0.80315 0.923913
42 SCA 0.80315 0.977012
43 CA8 0.796875 0.885417
44 COF 0.796875 0.955056
45 BYC 0.796875 0.977012
46 COW 0.796875 0.965909
47 3CP 0.796875 0.977012
48 IRC 0.796875 0.988372
49 1GZ 0.796875 0.965909
50 HGG 0.796875 0.977012
51 2KQ 0.796875 0.955056
52 BCA 0.790698 0.965909
53 4CA 0.790698 0.965909
54 FAQ 0.790698 0.977012
55 HXC 0.784615 0.955056
56 GRA 0.784615 0.977012
57 1CV 0.781955 0.977012
58 TGC 0.778626 0.965909
59 2NE 0.772727 0.955056
60 1CZ 0.772727 0.965909
61 CO8 0.772727 0.955056
62 S0N 0.772727 0.954545
63 CIC 0.772727 0.977012
64 DCC 0.766917 0.955056
65 UCC 0.766917 0.955056
66 0FQ 0.766917 0.977012
67 MYA 0.766917 0.955056
68 ST9 0.766917 0.955056
69 4CO 0.766917 0.965909
70 5F9 0.766917 0.955056
71 MFK 0.766917 0.955056
72 01A 0.761194 0.934066
73 0ET 0.761194 0.955056
74 WCA 0.755556 0.955056
75 CS8 0.755556 0.944444
76 UOQ 0.75 0.955056
77 NHW 0.75 0.955056
78 NHM 0.75 0.955056
79 4KX 0.75 0.944444
80 HDC 0.75 0.955056
81 MRR 0.744526 0.955056
82 MRS 0.744526 0.955056
83 HFQ 0.744526 0.955056
84 YNC 0.73913 0.965909
85 DAK 0.73913 0.944444
86 8Z2 0.733813 0.944444
87 NHQ 0.723404 0.988372
88 F8G 0.715278 0.913979
89 1HA 0.713287 0.955056
90 01K 0.708333 0.977012
91 COT 0.703448 0.977012
92 CCQ 0.695652 0.934066
93 CA3 0.693878 0.977012
94 7L1 0.692308 0.965909
95 CA5 0.671053 0.934066
96 UCA 0.666667 0.955056
97 93P 0.666667 0.965909
98 CO7 0.664234 0.977012
99 93M 0.64557 0.965909
100 OXT 0.634146 0.913979
101 5TW 0.607143 0.913979
102 4BN 0.607143 0.913979
103 PAP 0.603604 0.811765
104 JBT 0.598837 0.894737
105 BSJ 0.592814 0.944444
106 HMG 0.581081 0.943182
107 COA PLM 0.573333 0.922222
108 PLM COA 0.573333 0.922222
109 A3P 0.54955 0.8
110 PPS 0.547009 0.752688
111 ASP ASP ASP ILE CMC NH2 0.536585 0.932584
112 0WD 0.521739 0.788889
113 SFC 0.490683 0.955056
114 RFC 0.490683 0.955056
115 191 0.490196 0.865979
116 ACE SER ASP ALY THR NH2 COA 0.483333 0.932584
117 3AM 0.482143 0.788235
118 PTJ 0.48062 0.872093
119 4PS 0.477477 0.682353
120 A22 0.468254 0.813953
121 A2D 0.465517 0.802326
122 PUA 0.462585 0.820225
123 PAJ 0.460938 0.883721
124 ATR 0.459016 0.8
125 SAP 0.459016 0.806818
126 AGS 0.459016 0.806818
127 3OD 0.458015 0.825581
128 ADP 0.453782 0.823529
129 A2R 0.448819 0.813953
130 BA3 0.445378 0.802326
131 OAD 0.442748 0.825581
132 NA7 0.442748 0.858824
133 ATP 0.442623 0.823529
134 HEJ 0.442623 0.823529
135 AP5 0.441667 0.802326
136 B4P 0.441667 0.802326
137 AR6 0.439024 0.802326
138 APR 0.439024 0.802326
139 2A5 0.439024 0.847059
140 5FA 0.439024 0.823529
141 AQP 0.439024 0.823529
142 AN2 0.438017 0.813953
143 AT4 0.438017 0.816092
144 48N 0.435714 0.808989
145 M33 0.434426 0.813953
146 9X8 0.431818 0.806818
147 SRP 0.429688 0.837209
148 ANP 0.428571 0.804598
149 ADQ 0.427481 0.804598
150 YLB 0.426573 0.908046
151 YLP 0.425532 0.886364
152 5AL 0.425197 0.813953
153 7D3 0.425 0.793103
154 AD9 0.424 0.804598
155 APU 0.423611 0.786517
156 7D4 0.422764 0.793103
157 CA0 0.422764 0.804598
158 25L 0.422222 0.813953
159 ATF 0.421875 0.795455
160 F2R 0.421769 0.865169
161 NJP 0.421769 0.806818
162 A2P 0.421488 0.788235
163 A A A 0.421053 0.813953
164 8QN 0.419847 0.813953
165 PNS 0.419643 0.682353
166 ACP 0.419355 0.825581
167 NDP 0.417808 0.788889
168 ACQ 0.417323 0.825581
169 A1R 0.416667 0.882353
170 ATP A A A 0.416058 0.770115
171 A 0.415254 0.8
172 AMP 0.415254 0.8
173 1ZZ 0.414815 0.842697
174 NB8 0.414815 0.808989
175 TXA 0.414815 0.816092
176 FYA 0.414815 0.813953
177 DLL 0.413534 0.793103
178 00A 0.413534 0.758242
179 AHX 0.413534 0.829545
180 PAX 0.412903 0.793478
181 DQV 0.411348 0.813953
182 OMR 0.409722 0.853933
183 9ZD 0.409091 0.818182
184 25A 0.409091 0.802326
185 OOB 0.409091 0.793103
186 9ZA 0.409091 0.818182
187 NPW 0.408163 0.822222
188 6YZ 0.407692 0.825581
189 A A 0.407407 0.781609
190 WAQ 0.407407 0.860465
191 TAT 0.40625 0.816092
192 T99 0.40625 0.816092
193 AMO 0.406015 0.837209
194 4AD 0.406015 0.827586
195 A3R 0.406015 0.882353
196 FA5 0.405797 0.816092
197 YAP 0.405797 0.806818
198 B5Y 0.405797 0.786517
199 TXP 0.405405 0.829545
200 ABM 0.404959 0.781609
201 PRX 0.404762 0.825581
202 ME8 0.404412 0.842697
203 BIS 0.404412 0.818182
204 AFH 0.404255 0.78022
205 J7V 0.403846 0.778947
206 NAI 0.402778 0.777778
207 ODP 0.402685 0.78022
208 DAL AMP 0.401515 0.793103
209 AU1 0.4 0.804598
210 ADX 0.4 0.752688
211 SRA 0.4 0.784091
Ligand no: 2; Ligand: RIO; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 RIO 1 1
2 NMY 0.784615 1
3 PAR 0.776119 1
4 B31 0.585366 0.90566
5 XXX 0.584615 0.875
6 9CS 0.569444 0.958333
7 7QM 0.532468 0.92
8 LIV 0.52809 0.979592
9 KNC 0.472973 0.9375
10 KAN 0.460526 0.958333
11 OZY 0.451327 0.705882
12 MYG 0.424242 0.791667
13 7XP 0.4125 0.9375
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VBQ; Ligand: BSJ; Similar sites found with APoc: 414
This union binding pocket(no: 1) in the query (biounit: 2vbq.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA None
2 5HH0 COA None
3 1I1D COA None
4 1YRE COA None
5 1I1D 16G None
6 2WOR 2AN None
7 5YGE ACO None
8 5NNT DPV None
9 1XX6 ADP None
10 2Y65 ADP None
11 5YGE GLU None
12 3KO0 TFP None
13 3WR7 COA None
14 4RJD TFP None
15 1UO4 PIH None
16 2WJG GDP None
17 1L0I PSR None
18 3GD8 GOL None
19 4LYA ATP None
20 3WH2 FLC None
21 2CHT TSA None
22 4OAS 2SW None
23 1G16 GDP None
24 1M7G AV2 None
25 4WG0 CHD None
26 4HBM 0Y7 None
27 3GFZ FMN None
28 3WQM B29 None
29 3ZUY TCH None
30 5ICK FEZ None
31 5KSP GDP None
32 4NB5 2JT 1.21212
33 2BP1 FLC 1.21212
34 2B99 RDL 1.28205
35 5CHR 4NC 1.45985
36 2ZW5 COA 1.81818
37 6G96 ACO 1.81818
38 4U00 ADP 1.81818
39 4WZ6 ATP 1.81818
40 2PZE ATP 1.81818
41 6BR8 6OU 1.81818
42 5M36 9SZ 1.81818
43 4IA6 EIC 1.81818
44 4ZNL BEF ADP 1.81818
45 1UUY PPI 1.81818
46 6BR8 PGV 1.81818
47 3LXR GDP 1.81818
48 1GNI OLA 1.81818
49 3AB4 THR 1.81818
50 2CJW GDP 1.81818
51 2VWA PTY 1.9802
52 2D2F ADP 2.42424
53 2W58 ADP 2.42424
54 5LKT BCO 2.42424
55 5YT0 GDP 2.42424
56 1LVG ADP 2.42424
57 4MAF ADX 2.42424
58 1R0X ATP 2.42424
59 5CK5 GDP 2.42424
60 2BO4 FLC 2.42424
61 5H7J GCP 2.42424
62 4DS0 A2G GAL NAG FUC 2.45399
63 1PUA COA 2.45399
64 1QSR ACO 2.46914
65 1Q2D COA 2.46914
66 1QSN COA 2.46914
67 1Q2C COA 2.46914
68 5JPH COA 2.77778
69 1S7N COA 3.0303
70 2JDC CAO 3.0303
71 2KIN ADP 3.0303
72 1GOJ ADP 3.0303
73 3RC3 ANP 3.0303
74 4KFU ACP 3.0303
75 2XT3 ADP 3.0303
76 1ZED PNP 3.0303
77 4AG5 ADP 3.0303
78 1BG2 ADP 3.0303
79 4R98 GNH 3.0303
80 1FZQ GDP 3.0303
81 1OXV ANP 3.0303
82 1SJD NPG 3.0303
83 4DW4 U5P 3.0303
84 1TMX HGX 3.0303
85 3A1S GDP 3.0303
86 4BQS ADP 3.0303
87 2WG9 OCA 3.07692
88 3KP6 SAL 3.31126
89 5M90 JIF 3.63636
90 3R96 ACO 3.63636
91 3R96 AMP 3.63636
92 2AWN ADP 3.63636
93 3LRE ADP 3.63636
94 3COB ADP 3.63636
95 4R2I ANP 3.63636
96 2NCD ADP 3.63636
97 5FPN KYD 3.63636
98 4WGF HX2 3.63636
99 4WQ2 3SU 3.63636
100 5EE7 5MV 3.63636
101 1RE0 GDP 3.63636
102 3DSK T25 3.63636
103 4YMU ATP 3.63636
104 4IHQ ADP 3.63636
105 4GN8 ASO 3.63636
106 5OSW DIU 3.63636
107 5OSW AE4 3.63636
108 1JJV ATP 3.63636
109 4C2C ALA ALA ALA 3.63636
110 2YBP 2HG 3.63636
111 3KC1 2T6 3.63636
112 2WIC GNP 3.63636
113 1CM0 COA 4.24242
114 5GK9 ACO 4.24242
115 5H86 BCO 4.24242
116 2WSA MYA 4.24242
117 2WSA 646 4.24242
118 2CBZ ATP 4.24242
119 1RRC ADP 4.24242
120 4H6U ACO 4.24242
121 6A20 ADP 4.24242
122 2BHW NEX 4.24242
123 3W54 RNB 4.24242
124 4DE3 DN8 4.24242
125 3DC4 ADP 4.24242
126 3B5J 12D 4.24242
127 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 4.24242
128 4COL DTP 4.24242
129 3I6B KDO 4.24242
130 3TK1 GDP 4.24242
131 1MKY GDP 4.24242
132 3EC1 GDP 4.24242
133 3A4M ADP 4.24242
134 3CZ7 ACO 4.24242
135 5TCI MLI 4.24242
136 2HT6 GDP 4.24242
137 4LOC OXM 4.24242
138 3N5C GDP 4.24242
139 4V03 ADP 4.24242
140 2F7A BEZ 4.24242
141 3MD0 GDP 4.24242
142 1Z0A GDP 4.24242
143 3PQC GDP 4.24242
144 2GDJ ANP 4.24242
145 2ZFI ADP 4.24242
146 3EWA ANP 4.24242
147 5B0I BOG 4.24242
148 5A07 GDP 4.24242
149 3LN9 FLC 4.31655
150 4CVN ADP 4.37956
151 1RDL MMA 4.42478
152 5XJ7 87O 4.47761
153 2GBB CIT 4.48718
154 1ID0 ANP 4.60526
155 1XPJ TLA 4.7619
156 5HGZ ACO 4.84848
157 1R6N 434 4.84848
158 1NF8 BOG 4.84848
159 1SVI GDP 4.84848
160 5U83 ZN8 4.84848
161 5OLK DTP 4.84848
162 4OAR 2S0 4.84848
163 5UIV ADP 4.84848
164 5E5U MLI 4.84848
165 2IS6 ADP 4.84848
166 2IYL GDP 4.84848
167 2X77 GDP 4.84848
168 3Q72 GNP 4.84848
169 1G6O ADP 4.84848
170 5BU2 ADP 4.84848
171 2OFW ADX 4.84848
172 3GJ3 GDP 4.84848
173 4KOT CE3 4.93827
174 3B9Q MLI 4.96689
175 4K30 NLG 5
176 4UA3 COA 5.45455
177 1BO4 COA 5.45455
178 4AG9 COA 5.45455
179 4B5P ACO 5.45455
180 1JJ7 ADP 5.45455
181 2VVG ADP 5.45455
182 4AG9 16G 5.45455
183 4V3I ASP LEU THR ARG PRO 5.45455
184 1F9V ADP 5.45455
185 4QM7 GTP 5.45455
186 1U0J ADP 5.45455
187 2J5V PCA 5.45455
188 5L3S G 5.45455
189 5IM3 DTP 5.45455
190 5NM7 GLY 5.45455
191 1KK1 GNP 5.45455
192 5MBC FMN 5.45455
193 5FQK 6NT 5.45455
194 1YZG GDP 5.45455
195 6BXO SAH 5.45455
196 5HCN DAO 5.45455
197 1DKF BMS 5.45455
198 1HBK MYR 5.61798
199 6FS0 E4W 5.66038
200 2IL4 COA 5.82524
201 3BIY 01K 6.05263
202 2VZZ SCA 6.06061
203 5OCA 9QZ 6.06061
204 3W5J GDP 6.06061
205 2YNE NHW 6.06061
206 2YNE YNE 6.06061
207 1M4I PAP 6.06061
208 4UWJ MYA 6.06061
209 4UWJ 7L5 6.06061
210 2YNC YNC 6.06061
211 1M4I COA 6.06061
212 1M4I KAN 6.06061
213 1XP8 AGS 6.06061
214 3DUV KDO 6.06061
215 5CX6 CDP 6.06061
216 4YDS ATP 6.06061
217 3WY9 GDP 6.06061
218 5U32 GDP 6.06061
219 1PVC ILE SER GLU VAL 6.06061
220 1XQP 8HG 6.06061
221 1G8S MET 6.06061
222 3WYA GDP 6.06061
223 5KTC COA 6.06061
224 5KTC FUH 6.06061
225 4DKX GDP 6.06061
226 1V47 ADX 6.06061
227 1ZJ6 G3D 6.06061
228 5KOR GDP 6.06061
229 1N8V BDD 6.25
230 4B47 GDP 6.33609
231 5XK9 GST 6.46552
232 2ZPA ACO 6.66667
233 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 6.66667
234 1BOB ACO 6.66667
235 1JI0 ATP 6.66667
236 5ZXD ATP 6.66667
237 1VG1 GDP 6.66667
238 1D2E GDP 6.66667
239 1USF NAP 6.66667
240 5JOG 6LT 6.66667
241 4U0S ADP 6.66667
242 3IIJ ADP 6.66667
243 3P9T TCL 6.66667
244 3SE5 ANP 6.70732
245 2WPX ACO 7.27273
246 1CJW COT 7.27273
247 1KUV CA5 7.27273
248 1IYK MYA 7.27273
249 3H4S ADP 7.27273
250 1B0U ATP 7.27273
251 4FRZ ADP 7.27273
252 2WHX ADP 7.27273
253 5W7Q GDP 7.27273
254 2D5X L35 7.53425
255 1GXU 2HP 7.69231
256 1G6H ADP 7.87879
257 2DPY ADP 7.87879
258 1SKQ GDP 7.87879
259 5W76 GDP 7.87879
260 2WZM NA7 7.87879
261 1F6B GDP 7.87879
262 6BR9 6OU 7.87879
263 5V3Y 5V8 7.87879
264 2GKS ADP 7.87879
265 4XPL ACO 7.97546
266 5FVJ ACO 8.48485
267 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 8.48485
268 3SP6 IL2 8.48485
269 5O22 C3R 8.48485
270 1KY3 GDP 8.48485
271 1DTL BEP 8.69565
272 2FT0 ACO 8.93617
273 5JH2 A2P 9.09091
274 1TV5 N8E 9.09091
275 4L77 CNL 9.09091
276 6DIO CIT 9.09091
277 2OG2 MLI 9.09091
278 3B6C SDN 9.09091
279 3LXI CAM 9.09091
280 5UGW GSH 9.09091
281 2V7Q ADP 9.09091
282 1W0J ADP 9.09091
283 1S9D GDP 9.09091
284 2V7Q ATP 9.09091
285 2CK3 ANP 9.09091
286 3CH6 NAP 9.09091
287 3CH6 311 9.09091
288 5Z84 CHD 9.18367
289 5ZCO CHD 9.18367
290 5W97 CHD 9.18367
291 4LWU 20U 9.41177
292 3TO7 COA 9.69697
293 4R57 ACO 9.69697
294 4NON GDP 9.69697
295 3BOS CDP 9.69697
296 5LWY OLB 9.69697
297 3UR0 SVR 9.69697
298 5LX9 OLB 9.69697
299 2VPY PCI 9.69697
300 5V4R MGT 9.87654
301 2HHP FLC 10.303
302 2QN6 GDP 10.303
303 2X7I CIT 10.303
304 5OFW 9TW 10.303
305 1O5O U5P 10.303
306 1YRB GDP 10.303
307 1IID NHM 10.303
308 3N75 G4P 10.303
309 2WPW ACO 10.9091
310 1Y63 ADP 10.9091
311 5MWE TCE 11.1111
312 4ZGM 32M 11.4754
313 1T5C ADP 11.5152
314 2OBM ADP 11.5152
315 2JC9 ADN 11.5152
316 2VCN ISZ 11.5152
317 1HTW ADP 12.0253
318 5MU6 KFK 12.1212
319 5MU6 MYA 12.1212
320 5GVR LMR 12.1212
321 4C2X NHW 12.1212
322 5XXS COA 12.1212
323 5DXE EST 12.2605
324 4NSQ COA 12.7273
325 5XQL C2E 12.7273
326 5EY0 GTP 12.7273
327 6CB2 OLC 12.7273
328 2ZFN ACO 12.7273
329 4J0Q GDP 12.7273
330 5M04 GDP 12.7273
331 4DCT GDP 12.7273
332 2O1V ADP 12.7273
333 4Z3E GAL NGA GLA BGC GAL 12.7273
334 4TV1 36M 12.749
335 5O74 GDP 12.7778
336 3TE4 ACO 13.0233
337 5KF9 ACO 13.3333
338 5KF9 COA 13.3333
339 5KF9 NAG 13.3333
340 5YV5 ADP 13.3333
341 1YQT ADP 13.3333
342 2BJ4 OHT 13.3333
343 2CDN ADP 13.3333
344 1V8K ANP 13.3333
345 5YBL AKG 13.3333
346 5CQG 55C 13.3333
347 4I67 G G G RPC 13.7931
348 3TDC 0EU 13.9394
349 3U6B GDP 13.9394
350 4P3Y GDP 13.9394
351 1D8T GDP 13.9394
352 4G5G GDP 13.9394
353 5JBQ GDP 13.9394
354 3U6K GDP 13.9394
355 2HCJ GDP 13.9394
356 5W75 GDP 13.9394
357 4AVB ACO 14.5455
358 4EKQ NPO 14.5455
359 4PSW COA 14.5455
360 5TSH ADP 14.5455
361 5TSH ANP 14.5455
362 6EDV COA 15.1515
363 3ZJ0 ACO 15.1515
364 6BA2 7KM 15.7576
365 2JEV NHQ 15.7576
366 5FG3 GDP 15.7576
367 2PRG BRL 15.9091
368 2ZR9 DTP 16.3636
369 4XCP PLM 16.4706
370 3D2M COA 16.9697
371 1TIQ COA 16.9697
372 5TVJ COA 16.9697
373 5TVJ 7LF 16.9697
374 4U9W COA 16.9697
375 4YJ1 ADP 16.9697
376 5W8E ADE 16.9697
377 5W8E SXZ 16.9697
378 2Y69 CHD 17.0543
379 4KVX ACO 17.3077
380 3ZIA ADP 17.4603
381 3ZIA ATP 17.4603
382 2CNT COA 17.5
383 4CRZ ACO 17.5182
384 5LS7 ACO 17.5182
385 4PPF FLC 17.5758
386 2B4B COA 18.1818
387 2Q4V ACO 18.1818
388 2B4D COA 18.1818
389 4RI1 ACO 18.1818
390 5K04 COA 18.7879
391 4R43 GDP 19.3939
392 3KPE TM3 19.6078
393 1GHE ACO 20
394 3E70 GDP 21.2121
395 3K9U ACO 21.3836
396 4QC6 30N 22.4242
397 1I4D GDP 22.4242
398 1DS6 GDP 22.4242
399 3CPJ GDP 22.4242
400 1WWZ ACO 22.6415
401 2XN5 FUN 22.8571
402 3NHB ADP 24.2424
403 6GMN F4E 24.7423
404 1P0H COA 25.4545
405 1P0H ACO 25.4545
406 4OGQ 7PH 25.8065
407 4OGQ SQD 25.8065
408 2UW1 GVM 26.0606
409 1XMV ADP 26.6667
410 3F8K COA 27.5
411 2BCG GER 27.8788
412 4R3L COA 28.4848
413 3SXN COA 35.7576
414 1QSM ACO 39.4737
Pocket No.: 2; Query (leader) PDB : 2VBQ; Ligand: BSJ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2vbq.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2VBQ; Ligand: BSJ; Similar sites found with APoc: 79
This union binding pocket(no: 3) in the query (biounit: 2vbq.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 1MID LAP None
2 4F4S EFO None
3 1ZEI CRS None
4 6BSX GDP None
5 3AQ4 GDP None
6 1G3Q ADP None
7 1JAY F42 None
8 3Q85 GNP None
9 2Q8M AMP 1.81818
10 3UIE ANP 1.81818
11 3DBX PLM 1.81818
12 4HE2 AMP 2.42424
13 2J0V GDP 2.42424
14 3G4Q MCH 2.73973
15 4UCC ZKW 3.0303
16 2RCN GDP 3.0303
17 5HR5 ADP 3.0303
18 4D0N GDP 3.48525
19 1T0S BML 3.48837
20 1GEG GLC 3.63636
21 1SBR VIB 3.63636
22 3EZ2 ADP 3.63636
23 4LC1 GDP 3.63636
24 6MVU K4V 4.24242
25 3CNL GNP 4.24242
26 4DE2 DN3 4.24242
27 5KUT GDP 4.24242
28 1G7S GDP 4.24242
29 5IJJ I6P 4.24242
30 5ZBR ANP 4.24242
31 5X3R 7Y3 4.84848
32 1ZGS XMM 4.84848
33 1DAR GDP 4.84848
34 6G14 G4P 4.84848
35 3GJ5 GDP 4.84848
36 6CGN DA 4.84848
37 3GJ0 GDP 4.84848
38 3GJ7 GDP 4.84848
39 3GJ4 GDP 4.84848
40 3B9Z CO2 5.45455
41 3P4X ADP 5.45455
42 3W6G FLC 5.45455
43 5Y02 HBX 5.60748
44 4IBF 1D5 6.20155
45 4RYV ZEA 7.09677
46 4G86 BNT 7.27273
47 5W7B MYR 7.27273
48 1KSK URA 7.27273
49 3IO3 ADP 7.27273
50 5BXQ GDP 7.87402
51 4KVL PLM 7.87879
52 6BR9 PGV 7.87879
53 1M2Z BOG 9.09091
54 5N26 CPT 9.09091
55 4URN NOV 9.09091
56 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 9.09091
57 3OKI OKI 9.09091
58 5KAU RHQ 9.09091
59 3VSV XYP 10.303
60 4YSX E23 10.9091
61 4L9Z OXL 10.9091
62 4V2O CLQ 10.9756
63 3SQP 3J8 11.5152
64 5C9P FUC 12.1212
65 5T96 79J 12.1212
66 5WGD EST 12.2605
67 5WGQ EST 12.2605
68 5HYR EST 12.4031
69 4MGA 27L 12.549
70 4MGB XDH 12.549
71 4TUZ 36J 12.549
72 4MG8 27J 12.549
73 3UUD EST 12.749
74 5X80 SAL 13.125
75 2GWH PCI 13.3333
76 3X01 AMP 13.3333
77 1FX8 BOG 13.3333
78 3O01 DXC 14.5455
79 4V1F BQ1 17.4419
Pocket No.: 4; Query (leader) PDB : 2VBQ; Ligand: BSJ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2vbq.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
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