Receptor
PDB id Resolution Class Description Source Keywords
1M4I 1.5 Å EC: 2.3.1.- AMINOGLYCOSIDE 2'-N-ACETYLTRANSFERASE FROM MYCOBACTERIUM TUB COMPLEX WITH COENZYME A AND KANAMYCIN A MYCOBACTERIUM TUBERCULOSIS COA BINDING MOTIF TRANSFERASE
Ref.: AMINOGLYCOSIDE 2'-N-ACETYLTRANSFERASE FROM MYCOBACT TUBERCULOSIS IN COMPLEX WITH COENZYME A AND AMINOGL SUBSTRATES. NAT.STRUCT.BIOL. V. 9 653 2002
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)...
KAN A:500;
B:501;
Valid;
Valid;
none;
none;
submit data
484.499 C18 H36 N4 O11 C1[C@...
PAP A:602;
Valid;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1M4I 1.5 Å EC: 2.3.1.- AMINOGLYCOSIDE 2'-N-ACETYLTRANSFERASE FROM MYCOBACTERIUM TUB COMPLEX WITH COENZYME A AND KANAMYCIN A MYCOBACTERIUM TUBERCULOSIS COA BINDING MOTIF TRANSFERASE
Ref.: AMINOGLYCOSIDE 2'-N-ACETYLTRANSFERASE FROM MYCOBACT TUBERCULOSIS IN COMPLEX WITH COENZYME A AND AMINOGL SUBSTRATES. NAT.STRUCT.BIOL. V. 9 653 2002
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 1M4D - PAP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 1M4I - KAN C18 H36 N4 O11 C1[C@H]([C....
3 1M4G - PAP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 1M4D - PAP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 1M4I - KAN C18 H36 N4 O11 C1[C@H]([C....
3 1M4G - PAP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 1M4D - PAP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 1M4I - KAN C18 H36 N4 O11 C1[C@H]([C....
3 1M4G - PAP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: COA; Similar ligands found: 197
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 CAO 0.871795 0.965909
7 AMX 0.871795 0.988235
8 30N 0.871795 0.913979
9 CMX 0.864407 0.976744
10 SCO 0.864407 0.976744
11 FAM 0.857143 0.954545
12 ACO 0.857143 0.965909
13 FCX 0.857143 0.94382
14 HAX 0.85 0.954545
15 3KK 0.842975 0.977012
16 FYN 0.842975 1
17 CA6 0.836066 0.885417
18 SOP 0.836066 0.977012
19 MCD 0.836066 0.954545
20 COK 0.836066 0.977012
21 OXK 0.836066 0.977012
22 NMX 0.829268 0.903226
23 CO6 0.829268 0.977012
24 CMC 0.829268 0.977012
25 1VU 0.829268 0.965909
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 BCO 0.816 0.977012
31 3HC 0.816 0.988372
32 1HE 0.816 0.955056
33 MLC 0.816 0.977012
34 A1S 0.816 0.977012
35 IVC 0.816 0.988372
36 COD 0.810345 0.988235
37 CAA 0.809524 0.988372
38 COO 0.809524 0.977012
39 MCA 0.809524 0.965909
40 YE1 0.809524 0.965517
41 SCA 0.80315 0.977012
42 MC4 0.80315 0.923913
43 IRC 0.796875 0.988372
44 3CP 0.796875 0.977012
45 CA8 0.796875 0.885417
46 BYC 0.796875 0.977012
47 COW 0.796875 0.965909
48 2KQ 0.796875 0.955056
49 COF 0.796875 0.955056
50 HGG 0.796875 0.977012
51 1GZ 0.796875 0.965909
52 4CA 0.790698 0.965909
53 FAQ 0.790698 0.977012
54 BCA 0.790698 0.965909
55 GRA 0.784615 0.977012
56 HXC 0.784615 0.955056
57 1CV 0.781955 0.977012
58 TGC 0.778626 0.965909
59 1CZ 0.772727 0.965909
60 CO8 0.772727 0.955056
61 S0N 0.772727 0.954545
62 2NE 0.772727 0.955056
63 CIC 0.772727 0.977012
64 0FQ 0.766917 0.977012
65 ST9 0.766917 0.955056
66 4CO 0.766917 0.965909
67 UCC 0.766917 0.955056
68 MFK 0.766917 0.955056
69 DCC 0.766917 0.955056
70 MYA 0.766917 0.955056
71 5F9 0.766917 0.955056
72 01A 0.761194 0.934066
73 0ET 0.761194 0.955056
74 CS8 0.755556 0.944444
75 WCA 0.755556 0.955056
76 4KX 0.75 0.944444
77 UOQ 0.75 0.955056
78 NHW 0.75 0.955056
79 HDC 0.75 0.955056
80 NHM 0.75 0.955056
81 HFQ 0.744526 0.955056
82 MRS 0.744526 0.955056
83 MRR 0.744526 0.955056
84 DAK 0.73913 0.944444
85 YNC 0.73913 0.965909
86 8Z2 0.733813 0.944444
87 NHQ 0.723404 0.988372
88 1HA 0.713287 0.955056
89 01K 0.708333 0.977012
90 COT 0.703448 0.977012
91 CCQ 0.695652 0.934066
92 CA3 0.693878 0.977012
93 CA5 0.671053 0.934066
94 UCA 0.666667 0.955056
95 93P 0.666667 0.965909
96 CO7 0.664234 0.977012
97 93M 0.64557 0.965909
98 OXT 0.634146 0.913979
99 5TW 0.607143 0.913979
100 4BN 0.607143 0.913979
101 PAP 0.603604 0.811765
102 JBT 0.598837 0.894737
103 BSJ 0.592814 0.944444
104 HMG 0.581081 0.943182
105 COA MYR 0.573333 0.922222
106 PLM COA 0.573333 0.922222
107 COA PLM 0.573333 0.922222
108 A3P 0.54955 0.8
109 PPS 0.547009 0.752688
110 0WD 0.521739 0.788889
111 RFC 0.490683 0.955056
112 SFC 0.490683 0.955056
113 191 0.490196 0.865979
114 3AM 0.482143 0.788235
115 PTJ 0.48062 0.872093
116 ACE SER ASP ALY THR NH2 COA 0.478261 0.932584
117 4PS 0.477477 0.682353
118 A22 0.468254 0.813953
119 A2D 0.465517 0.802326
120 PUA 0.462585 0.820225
121 PAJ 0.460938 0.883721
122 AGS 0.459016 0.806818
123 SAP 0.459016 0.806818
124 ATR 0.459016 0.8
125 3OD 0.458015 0.825581
126 ADP 0.453782 0.823529
127 A2R 0.448819 0.813953
128 BA3 0.445378 0.802326
129 NA7 0.442748 0.858824
130 OAD 0.442748 0.825581
131 ATP 0.442623 0.823529
132 AP5 0.441667 0.802326
133 B4P 0.441667 0.802326
134 APR 0.439024 0.802326
135 5FA 0.439024 0.823529
136 2A5 0.439024 0.847059
137 AQP 0.439024 0.823529
138 AR6 0.439024 0.802326
139 AN2 0.438017 0.813953
140 48N 0.435714 0.808989
141 M33 0.434426 0.813953
142 SRP 0.429688 0.837209
143 ANP 0.428571 0.804598
144 ADQ 0.427481 0.804598
145 YLB 0.426573 0.908046
146 YLP 0.425532 0.886364
147 5AL 0.425197 0.813953
148 7D3 0.425 0.793103
149 AD9 0.424 0.804598
150 APU 0.423611 0.786517
151 7D4 0.422764 0.793103
152 CA0 0.422764 0.804598
153 25L 0.422222 0.813953
154 ATF 0.421875 0.795455
155 NJP 0.421769 0.806818
156 A2P 0.421488 0.788235
157 A A A 0.421053 0.813953
158 8QN 0.419847 0.813953
159 PNS 0.419643 0.682353
160 ACP 0.419355 0.825581
161 NDP 0.417808 0.788889
162 ACQ 0.417323 0.825581
163 A1R 0.416667 0.882353
164 ATP A A A 0.416058 0.770115
165 A 0.415254 0.8
166 AMP 0.415254 0.8
167 FYA 0.414815 0.813953
168 1ZZ 0.414815 0.842697
169 TXA 0.414815 0.816092
170 NB8 0.414815 0.808989
171 AHX 0.413534 0.829545
172 DLL 0.413534 0.793103
173 00A 0.413534 0.758242
174 PAX 0.412903 0.793478
175 OMR 0.409722 0.853933
176 25A 0.409091 0.802326
177 OOB 0.409091 0.793103
178 NPW 0.408163 0.822222
179 WAQ 0.407407 0.860465
180 A A 0.407407 0.781609
181 TAT 0.40625 0.816092
182 4AD 0.406015 0.827586
183 AMO 0.406015 0.837209
184 YAP 0.405797 0.806818
185 FA5 0.405797 0.816092
186 TXP 0.405405 0.829545
187 ABM 0.404959 0.781609
188 PRX 0.404762 0.825581
189 ME8 0.404412 0.842697
190 BIS 0.404412 0.818182
191 AFH 0.404255 0.78022
192 J7V 0.403846 0.778947
193 NAI 0.402778 0.777778
194 ODP 0.402685 0.78022
195 ADX 0.4 0.752688
196 SRA 0.4 0.784091
197 AU1 0.4 0.804598
Ligand no: 2; Ligand: KAN; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 KAN 1 1
2 9CS 0.75 1
3 TOY 0.661765 0.957447
4 KNC 0.661538 0.978261
5 RIO 0.460526 0.958333
Ligand no: 3; Ligand: PAP; Similar ligands found: 379
No: Ligand ECFP6 Tc MDL keys Tc
1 PAP 1 1
2 A3P 0.835616 0.985507
3 PPS 0.810127 0.884615
4 3AM 0.72973 0.942857
5 ADP 0.708861 0.985714
6 ATR 0.707317 0.985507
7 7D3 0.683544 0.917808
8 2A5 0.674699 0.931507
9 ATP 0.642857 0.985714
10 AQP 0.635294 0.985714
11 5FA 0.635294 0.985714
12 A2D 0.62963 0.957747
13 B4P 0.626506 0.957747
14 AP5 0.626506 0.957747
15 0WD 0.622642 0.907895
16 AN2 0.619048 0.971831
17 A22 0.615385 0.971831
18 DCA 0.614679 0.811765
19 ETB 0.614679 0.821429
20 BA3 0.614458 0.957747
21 7D4 0.611765 0.917808
22 SAP 0.609195 0.932432
23 AGS 0.609195 0.932432
24 COA 0.603604 0.811765
25 0T1 0.603604 0.811765
26 ACQ 0.595506 0.958333
27 ANP 0.595506 0.958333
28 A2P 0.595238 0.971014
29 PUA 0.594595 0.896104
30 M33 0.593023 0.944444
31 AMP 0.592593 0.957143
32 A 0.592593 0.957143
33 A A A 0.589474 0.891892
34 COS 0.587719 0.793103
35 CAO 0.587719 0.784091
36 30N 0.587719 0.741935
37 AMX 0.587719 0.821429
38 2AM 0.5875 0.957143
39 A2R 0.586957 0.971831
40 ACP 0.586207 0.958333
41 DAT 0.586207 0.917808
42 SCO 0.582609 0.811765
43 CMX 0.582609 0.811765
44 AV2 0.582418 0.930556
45 APR 0.579545 0.957747
46 AR6 0.579545 0.957747
47 TAT 0.577778 0.945205
48 FCX 0.577586 0.784091
49 FAM 0.577586 0.793103
50 ACO 0.577586 0.784091
51 ATP A A A 0.575758 0.916667
52 APU 0.575472 0.906667
53 7D5 0.575 0.890411
54 AD9 0.573034 0.958333
55 HAX 0.57265 0.793103
56 NMX 0.571429 0.75
57 25L 0.571429 0.971831
58 ADQ 0.568421 0.931507
59 3KK 0.567797 0.793103
60 FYN 0.567797 0.811765
61 A A 0.56701 0.930556
62 SOP 0.563025 0.793103
63 COK 0.563025 0.793103
64 MCD 0.563025 0.793103
65 CA6 0.563025 0.71875
66 OXK 0.563025 0.793103
67 APC 0.561798 0.945205
68 AMP MG 0.559524 0.878378
69 1VU 0.558333 0.784091
70 CMC 0.558333 0.793103
71 CO6 0.558333 0.793103
72 CA0 0.556818 0.931507
73 ADX 0.556818 0.860759
74 NA7 0.556701 0.945205
75 2MC 0.553719 0.758242
76 CAJ 0.553719 0.793103
77 SCD 0.553719 0.811765
78 ABM 0.552941 0.90411
79 MC4 0.552846 0.75
80 ADP BEF 0.550562 0.868421
81 50T 0.550562 0.944444
82 BEF ADP 0.550562 0.868421
83 MLC 0.54918 0.793103
84 1HE 0.54918 0.775281
85 BCO 0.54918 0.793103
86 IVC 0.54918 0.802326
87 A1S 0.54918 0.793103
88 3HC 0.54918 0.802326
89 ATF 0.548387 0.945205
90 SRA 0.547619 0.905405
91 G3D 0.547368 0.918919
92 3OD 0.545455 0.931507
93 YE1 0.544715 0.802326
94 CAA 0.544715 0.802326
95 MCA 0.544715 0.784091
96 COO 0.544715 0.793103
97 PRX 0.544444 0.88
98 25A 0.541667 0.957747
99 2CP 0.540323 0.784091
100 SCA 0.540323 0.793103
101 AP2 0.54023 0.945205
102 A12 0.54023 0.945205
103 XYA 0.539474 0.830986
104 RAB 0.539474 0.830986
105 ADN 0.539474 0.830986
106 AU1 0.539326 0.958333
107 ADP MG 0.539326 0.891892
108 BYC 0.536 0.793103
109 COW 0.536 0.784091
110 HGG 0.536 0.793103
111 COF 0.536 0.775281
112 3CP 0.536 0.793103
113 CA8 0.536 0.71875
114 1GZ 0.536 0.784091
115 IRC 0.536 0.802326
116 2KQ 0.536 0.775281
117 PAX 0.533898 0.839506
118 4CA 0.531746 0.784091
119 BCA 0.531746 0.784091
120 FAQ 0.531746 0.793103
121 CCQ 0.53125 0.758242
122 00A 0.530612 0.87013
123 OVE 0.529412 0.917808
124 HXC 0.527559 0.775281
125 GRA 0.527559 0.793103
126 3AT 0.526882 0.985714
127 DTP 0.526882 0.917808
128 SRP 0.526316 0.893333
129 OOB 0.525773 0.917808
130 OAD 0.525253 0.931507
131 TGC 0.523438 0.784091
132 ADP PO3 0.521739 0.929577
133 5AL 0.521277 0.917808
134 A1R 0.520408 0.894737
135 2NE 0.51938 0.775281
136 1CZ 0.51938 0.784091
137 CIC 0.51938 0.793103
138 CO8 0.51938 0.775281
139 S0N 0.51938 0.793103
140 ATP MG 0.516129 0.891892
141 MAP 0.515464 0.932432
142 UCC 0.515385 0.775281
143 0FQ 0.515385 0.793103
144 MFK 0.515385 0.775281
145 DCC 0.515385 0.775281
146 MYA 0.515385 0.775281
147 5F9 0.515385 0.775281
148 ST9 0.515385 0.775281
149 4CO 0.515385 0.784091
150 DLL 0.515152 0.917808
151 0ET 0.51145 0.775281
152 01A 0.51145 0.758242
153 GAP 0.510638 0.88
154 VO4 ADP 0.510417 0.917808
155 ANP MG 0.510417 0.881579
156 ADP VO4 0.510417 0.917808
157 ADP BMA 0.51 0.905405
158 CS8 0.507576 0.766667
159 1CV 0.507576 0.793103
160 WCA 0.507576 0.775281
161 ADV 0.505376 0.918919
162 RBY 0.505376 0.918919
163 PAJ 0.50505 0.871795
164 AMO 0.50505 0.918919
165 NHM 0.503759 0.775281
166 NHW 0.503759 0.775281
167 UOQ 0.503759 0.775281
168 4KX 0.503759 0.766667
169 HDC 0.503759 0.775281
170 HFQ 0.5 0.775281
171 MRS 0.5 0.775281
172 FA5 0.5 0.893333
173 BIS 0.5 0.92
174 12D 0.5 0.795181
175 MRR 0.5 0.775281
176 ALF ADP 0.5 0.857143
177 ADP ALF 0.5 0.857143
178 FYA 0.5 0.891892
179 YNC 0.496296 0.784091
180 DAK 0.496296 0.766667
181 G A A A 0.495652 0.858974
182 3UK 0.49505 0.905405
183 8QN 0.494949 0.917808
184 5SV 0.494949 0.835443
185 V3L 0.494737 0.957747
186 SON 0.494505 0.918919
187 8Z2 0.492647 0.766667
188 A U 0.491071 0.857143
189 LAD 0.490196 0.848101
190 WAQ 0.490196 0.87013
191 4AD 0.49 0.906667
192 5N5 0.4875 0.805556
193 7D7 0.487179 0.753425
194 NJP 0.486957 0.932432
195 YAP 0.485714 0.881579
196 NHQ 0.485507 0.802326
197 PTJ 0.485437 0.883117
198 1ZZ 0.485437 0.82716
199 ME8 0.485437 0.82716
200 NB8 0.485437 0.883117
201 AHX 0.485149 0.883117
202 U A C C 0.483051 0.846154
203 NPW 0.482456 0.873418
204 NDP 0.482456 0.907895
205 G5P 0.481481 0.907895
206 5CD 0.481481 0.791667
207 A4D 0.481481 0.805556
208 AFH 0.481481 0.871795
209 DDS 0.479167 0.890411
210 U A G G 0.478632 0.87013
211 1HA 0.478571 0.775281
212 UP5 0.477477 0.906667
213 9SN 0.47619 0.858974
214 PR8 0.475728 0.8375
215 G4P 0.475248 0.918919
216 01K 0.475177 0.793103
217 ODP 0.474138 0.896104
218 ITT 0.473118 0.929577
219 G3A 0.472222 0.907895
220 D5M 0.47191 0.890411
221 DA 0.47191 0.890411
222 A3G 0.47191 0.786667
223 COT 0.471831 0.793103
224 J7V 0.471545 0.821429
225 TXA 0.471154 0.918919
226 APC G U 0.470588 0.846154
227 DAL AMP 0.47 0.891892
228 48N 0.468468 0.883117
229 PO4 PO4 A A A A PO4 0.466019 0.915493
230 NZQ 0.465517 0.896104
231 TXP 0.465517 0.907895
232 CA3 0.465278 0.793103
233 NAI 0.464286 0.894737
234 EP4 0.464286 0.74026
235 NAX 0.464286 0.860759
236 NXX 0.464286 0.918919
237 DND 0.464286 0.918919
238 128 0.464286 0.785714
239 GTA 0.463636 0.873418
240 4UV 0.462963 0.881579
241 101 0.460674 0.890411
242 6RE 0.460674 0.746835
243 TYM 0.460177 0.893333
244 OMR 0.460177 0.839506
245 LAQ 0.459459 0.82716
246 6AD 0.459184 0.896104
247 M2T 0.458824 0.721519
248 DTA 0.458824 0.773333
249 XNP 0.457627 0.884615
250 T5A 0.456897 0.829268
251 139 0.456897 0.860759
252 AP0 0.45614 0.883117
253 4TC 0.45614 0.883117
254 UPA 0.45614 0.894737
255 U A A U 0.456 0.894737
256 5AD 0.455696 0.732394
257 AOC 0.455556 0.808219
258 GGZ 0.455446 0.835443
259 YLP 0.455357 0.807229
260 4UU 0.454545 0.881579
261 XAH 0.453704 0.82716
262 MTA 0.453488 0.76
263 A4P 0.452174 0.831325
264 5AS 0.451613 0.767442
265 NAP 0.451613 0.931507
266 TXD 0.451327 0.894737
267 4UW 0.451327 0.848101
268 6V0 0.451327 0.883117
269 Y3J 0.451219 0.712329
270 CA5 0.449664 0.758242
271 ZAS 0.449438 0.753247
272 1DG 0.448 0.907895
273 DG1 0.448 0.907895
274 TAP 0.448 0.894737
275 TXE 0.447368 0.894737
276 A3S 0.446809 0.797297
277 7DD 0.446809 0.971429
278 UCA 0.446667 0.775281
279 93P 0.446667 0.784091
280 COD 0.445378 0.8
281 NAD 0.445378 0.917808
282 NA0 0.444444 0.918919
283 3DH 0.443182 0.76
284 AR6 AR6 0.441441 0.90411
285 CNA 0.440678 0.918919
286 TYR AMP 0.440367 0.868421
287 NEC 0.43956 0.733333
288 MYR AMP 0.439252 0.804878
289 TM1 0.439252 0.783133
290 A U C C 0.438462 0.835443
291 A3D 0.438017 0.905405
292 5X8 0.4375 0.75
293 A3T 0.4375 0.808219
294 AMP DBH 0.436364 0.88
295 V1N 0.436364 0.90411
296 A G U 0.43609 0.82716
297 NAE 0.435484 0.881579
298 J7C 0.434783 0.75641
299 AS 0.434783 0.844156
300 93M 0.432258 0.784091
301 ADJ 0.432203 0.839506
302 YLC 0.431034 0.82716
303 YLB 0.431034 0.807229
304 S4M 0.430108 0.655172
305 JB6 0.429907 0.87013
306 0O2 0.429907 0.918919
307 ZID 0.428571 0.905405
308 A5D 0.428571 0.773333
309 OXT 0.428571 0.741935
310 ANZ 0.428571 0.810127
311 3AD 0.428571 0.816901
312 MAO 0.425532 0.746988
313 G5A 0.424242 0.767442
314 DSH 0.423913 0.7125
315 IOT 0.423729 0.819277
316 2VA 0.42268 0.786667
317 SFG 0.42268 0.736842
318 EAD 0.421875 0.860759
319 AHZ 0.421053 0.804878
320 NAQ 0.420635 0.858974
321 3NZ 0.420561 0.769231
322 HMG 0.42029 0.761364
323 YLA 0.420168 0.807229
324 A3N 0.419355 0.773333
325 CPA 0.418803 0.814815
326 DZD 0.418033 0.871795
327 CO7 0.41791 0.793103
328 QQY 0.417582 0.826667
329 103 0.417582 0.849315
330 ACK 0.417582 0.873239
331 LPA AMP 0.417391 0.804878
332 AYB 0.416667 0.797619
333 ZZB 0.416667 0.783133
334 BSJ 0.416149 0.766667
335 7MD 0.415929 0.85
336 GJV 0.414894 0.7375
337 PLM COA 0.414286 0.744444
338 COA PLM 0.414286 0.744444
339 COA MYR 0.414286 0.744444
340 ZDA 0.414141 0.876712
341 NVA 2AD 0.414141 0.753247
342 SA8 0.414141 0.695122
343 TSB 0.413462 0.807229
344 D3Y 0.413462 0.776316
345 TAD 0.412281 0.871795
346 U G A 0.411765 0.82716
347 A5A 0.411765 0.795181
348 A6D 0.411215 0.710843
349 AF3 ADP 3PG 0.410256 0.825
350 ALF ADP 3PG 0.410256 0.825
351 LA8 ALF 3PG 0.410256 0.825
352 SAI 0.41 0.721519
353 VRT 0.41 0.75641
354 SO8 0.41 0.776316
355 SAH 0.41 0.730769
356 NDE 0.409091 0.918919
357 P1H 0.409091 0.839506
358 ARG AMP 0.408696 0.817073
359 SSA 0.407767 0.788235
360 SMM 0.407767 0.674419
361 7MC 0.40678 0.829268
362 QQX 0.406593 0.815789
363 BT5 0.406504 0.819277
364 4BN 0.406061 0.741935
365 5TW 0.406061 0.741935
366 SAM 0.405941 0.678571
367 M24 0.404762 0.8375
368 6FA 0.404412 0.829268
369 IMO 0.404255 0.915493
370 7DT 0.40404 0.971429
371 VMS 0.403846 0.776471
372 52H 0.403846 0.767442
373 54H 0.403846 0.776471
374 NDC 0.402985 0.858974
375 A7D 0.402062 0.763158
376 EEM 0.401961 0.678571
377 NAD IBO 0.401639 0.857143
378 53H 0.4 0.767442
379 5CA 0.4 0.788235
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1M4I; Ligand: COA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1m4i.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1M4I; Ligand: KAN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1m4i.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1M4I; Ligand: PAP; Similar sites found: 89
This union binding pocket(no: 3) in the query (biounit: 1m4i.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PUA COA 0.00001834 0.54214 None
2 1NU4 MLA 0.002406 0.45574 None
3 4XPL ACO 0.002213 0.44992 None
4 4P7U 1PS 0.0347 0.41202 None
5 2CBZ ATP 0.03907 0.41273 1.10497
6 3HQP FDP 0.02925 0.40633 1.65746
7 5H86 BCO 0.000005711 0.52344 1.78571
8 3F8K COA 0.0000321 0.51071 1.875
9 1YQT ADP 0.03476 0.41529 2.20994
10 1BO4 COA 0.0000007783 0.64552 2.38095
11 4KVX ACO 0.00001256 0.44461 2.5641
12 4H6U ACO 0.0009847 0.45433 2.76243
13 2Q4X HMH 0.03217 0.41965 2.76243
14 4PPF FLC 0.04625 0.41009 2.76243
15 5D4V YGP 0.009574 0.40151 2.76243
16 1N71 COA 0.00005229 0.51593 2.77778
17 2IL4 COA 0.00002245 0.54999 2.91262
18 1CM0 COA 0.0001316 0.51866 2.97619
19 4K30 NLG 0.02791 0.41475 3.125
20 5GVR LMR 0.0003884 0.54231 3.31492
21 2HHP FLC 0.004766 0.47222 3.31492
22 2AWN ADP 0.01266 0.44098 3.31492
23 2ZFN ACO 0.004161 0.4173 3.31492
24 2CB8 MYA 0.0363 0.41293 3.44828
25 2OG2 MLI 0.003966 0.48321 3.8674
26 2FT0 ACO 0.0008241 0.4747 3.8674
27 3B9Q MLI 0.01035 0.45799 3.8674
28 3P2H NOO 0.002779 0.44526 3.8674
29 4CCW VKC 0.02922 0.41902 3.8674
30 5TSH ADP 0.03469 0.41667 3.8674
31 2DPY ADP 0.03817 0.41135 3.8674
32 3I6B KDO 0.02777 0.41893 3.88889
33 4QC6 30N 0.003531 0.42642 3.91061
34 5FVJ ACO 0.000002552 0.54223 4.21687
35 1KUV CA5 0.0000001883 0.52296 4.41989
36 3TE4 ACO 0.000006454 0.54581 4.97238
37 2YNC YNC 0.00004899 0.45526 4.97238
38 4AVB ACO 0.0005958 0.45282 4.97238
39 5H67 ATP 0.0235 0.41118 4.97238
40 5E5U 1PS 0.008538 0.41081 4.97238
41 5E5U MLI 0.03687 0.40039 4.97238
42 3JUC PCA 0.008627 0.45293 5.22876
43 4NSQ COA 0.00001469 0.55257 5.26316
44 4AG9 COA 0.00001896 0.5742 5.45455
45 4AG9 16G 0.04319 0.40101 5.45455
46 1KZL CRM 0.03867 0.40354 5.52486
47 1JJ7 ADP 0.04997 0.40734 6.07735
48 2VQO TFG 0.03582 0.40895 6.62983
49 3ZJ0 ACO 0.00009415 0.48651 6.79612
50 1IID NHM 0.00007856 0.45558 7.18232
51 4B5P ACO 0.001236 0.43317 7.18232
52 1JJV ATP 0.03414 0.4167 7.18232
53 4QM7 GTP 0.03472 0.40599 7.60234
54 5LKT BCO 0.001945 0.4344 7.73481
55 5FJJ MAN 0.01277 0.43186 7.73481
56 3TO7 COA 0.00008786 0.40925 7.73481
57 5M04 GDP 0.04763 0.40229 7.73481
58 4OEE GNX IDY 0.04855 0.40634 7.74194
59 1CJW COT 0.0000004953 0.49528 7.83133
60 1WWZ ACO 0.000003568 0.5316 8.1761
61 1IYK MYA 0.000011 0.49977 8.28729
62 1P0H COA 0.00006024 0.48077 8.28729
63 1P0H ACO 0.00006459 0.48047 8.28729
64 1QSM ACO 0.00003187 0.50191 8.55263
65 5GK9 ACO 0.0001012 0.47731 8.83978
66 2B4B COA 0.00007155 0.50976 9.35672
67 2ZW5 COA 0.0003841 0.46845 9.39227
68 1BOB ACO 0.000007886 0.5368 10.4972
69 2VZZ SCA 0.000719 0.43654 10.4972
70 5K04 COA 0.000008542 0.5405 10.5882
71 2JDC CAO 0.0000582 0.48318 10.9589
72 1XPJ TLA 0.002865 0.47143 11.1111
73 3SXN COA 0.000001732 0.57669 11.1374
74 4P86 5GP 0.01527 0.42067 11.6022
75 5MVR ADP 0.01934 0.41923 12.3457
76 4C2Z MYA 0.00002756 0.45714 12.7072
77 4C2Z 646 0.00001498 0.40129 12.7072
78 4PSW COA 0.0001515 0.5101 13.1579
79 3R96 AMP 0.001076 0.41153 14.3646
80 3R96 ACO 0.001076 0.41153 14.3646
81 5W8E ADE 0.0003981 0.43759 16.5746
82 5W8E SXZ 0.0003445 0.43708 16.5746
83 4C2X NHW 0.00003503 0.44894 17.1271
84 2Q4V ACO 0.000008567 0.52549 17.6471
85 2CNT COA 0.000008192 0.53609 18.125
86 5HGZ ACO 0.00003133 0.42578 21.547
87 1I1D COA 0.0000002761 0.59911 22.9814
88 1I1D 16G 0.000000112 0.57553 22.9814
89 4KOT CE3 0.00004267 0.45631 23.4568
Pocket No.: 4; Query (leader) PDB : 1M4I; Ligand: COA; Similar sites found: 89
This union binding pocket(no: 4) in the query (biounit: 1m4i.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PUA COA 0.00001834 0.54214 None
2 1NU4 MLA 0.002406 0.45574 None
3 4XPL ACO 0.002213 0.44992 None
4 4P7U 1PS 0.0347 0.41202 None
5 2CBZ ATP 0.03907 0.41273 1.10497
6 3HQP FDP 0.02925 0.40633 1.65746
7 5H86 BCO 0.000005711 0.52344 1.78571
8 3F8K COA 0.0000321 0.51071 1.875
9 1YQT ADP 0.03476 0.41529 2.20994
10 1BO4 COA 0.0000007783 0.64552 2.38095
11 4KVX ACO 0.00001256 0.44461 2.5641
12 4H6U ACO 0.0009847 0.45433 2.76243
13 2Q4X HMH 0.03217 0.41965 2.76243
14 4PPF FLC 0.04625 0.41009 2.76243
15 5D4V YGP 0.009574 0.40151 2.76243
16 1N71 COA 0.00005229 0.51593 2.77778
17 2IL4 COA 0.00002245 0.54999 2.91262
18 1CM0 COA 0.0001316 0.51866 2.97619
19 4K30 NLG 0.02791 0.41475 3.125
20 5GVR LMR 0.0003884 0.54231 3.31492
21 2HHP FLC 0.004766 0.47222 3.31492
22 2AWN ADP 0.01266 0.44098 3.31492
23 2ZFN ACO 0.004161 0.4173 3.31492
24 2CB8 MYA 0.0363 0.41293 3.44828
25 2OG2 MLI 0.003966 0.48321 3.8674
26 2FT0 ACO 0.0008241 0.4747 3.8674
27 3B9Q MLI 0.01035 0.45799 3.8674
28 3P2H NOO 0.002779 0.44526 3.8674
29 4CCW VKC 0.02922 0.41902 3.8674
30 5TSH ADP 0.03469 0.41667 3.8674
31 2DPY ADP 0.03817 0.41135 3.8674
32 3I6B KDO 0.02777 0.41893 3.88889
33 4QC6 30N 0.003531 0.42642 3.91061
34 5FVJ ACO 0.000002552 0.54223 4.21687
35 1KUV CA5 0.0000001883 0.52296 4.41989
36 3TE4 ACO 0.000006454 0.54581 4.97238
37 2YNC YNC 0.00004899 0.45526 4.97238
38 4AVB ACO 0.0005958 0.45282 4.97238
39 5H67 ATP 0.0235 0.41118 4.97238
40 5E5U 1PS 0.008538 0.41081 4.97238
41 5E5U MLI 0.03687 0.40039 4.97238
42 3JUC PCA 0.008627 0.45293 5.22876
43 4NSQ COA 0.00001469 0.55257 5.26316
44 4AG9 COA 0.00001896 0.5742 5.45455
45 4AG9 16G 0.04319 0.40101 5.45455
46 1KZL CRM 0.03867 0.40354 5.52486
47 1JJ7 ADP 0.04997 0.40734 6.07735
48 2VQO TFG 0.03582 0.40895 6.62983
49 3ZJ0 ACO 0.00009415 0.48651 6.79612
50 1IID NHM 0.00007856 0.45558 7.18232
51 4B5P ACO 0.001236 0.43317 7.18232
52 1JJV ATP 0.03414 0.4167 7.18232
53 4QM7 GTP 0.03472 0.40599 7.60234
54 5LKT BCO 0.001945 0.4344 7.73481
55 5FJJ MAN 0.01277 0.43186 7.73481
56 3TO7 COA 0.00008786 0.40925 7.73481
57 5M04 GDP 0.04763 0.40229 7.73481
58 4OEE GNX IDY 0.04855 0.40634 7.74194
59 1CJW COT 0.0000004953 0.49528 7.83133
60 1WWZ ACO 0.000003568 0.5316 8.1761
61 1IYK MYA 0.000011 0.49977 8.28729
62 1P0H COA 0.00006024 0.48077 8.28729
63 1P0H ACO 0.00006459 0.48047 8.28729
64 1QSM ACO 0.00003187 0.50191 8.55263
65 5GK9 ACO 0.0001012 0.47731 8.83978
66 2B4B COA 0.00007155 0.50976 9.35672
67 2ZW5 COA 0.0003841 0.46845 9.39227
68 1BOB ACO 0.000007886 0.5368 10.4972
69 2VZZ SCA 0.000719 0.43654 10.4972
70 5K04 COA 0.000008542 0.5405 10.5882
71 2JDC CAO 0.0000582 0.48318 10.9589
72 1XPJ TLA 0.002865 0.47143 11.1111
73 3SXN COA 0.000001732 0.57669 11.1374
74 4P86 5GP 0.01527 0.42067 11.6022
75 5MVR ADP 0.01934 0.41923 12.3457
76 4C2Z MYA 0.00002756 0.45714 12.7072
77 4C2Z 646 0.00001498 0.40129 12.7072
78 4PSW COA 0.0001515 0.5101 13.1579
79 3R96 AMP 0.001076 0.41153 14.3646
80 3R96 ACO 0.001076 0.41153 14.3646
81 5W8E ADE 0.0003981 0.43759 16.5746
82 5W8E SXZ 0.0003445 0.43708 16.5746
83 4C2X NHW 0.00003503 0.44894 17.1271
84 2Q4V ACO 0.000008567 0.52549 17.6471
85 2CNT COA 0.000008192 0.53609 18.125
86 5HGZ ACO 0.00003133 0.42578 21.547
87 1I1D COA 0.0000002761 0.59911 22.9814
88 1I1D 16G 0.000000112 0.57553 22.9814
89 4KOT CE3 0.00004267 0.45631 23.4568
Pocket No.: 5; Query (leader) PDB : 1M4I; Ligand: KAN; Similar sites found: 83
This union binding pocket(no: 5) in the query (biounit: 1m4i.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PUA COA 0.00001834 0.54214 None
2 4XPL ACO 0.002213 0.44992 None
3 4P7U 1PS 0.0347 0.41202 None
4 2CBZ ATP 0.03907 0.41273 1.10497
5 5H86 BCO 0.000005711 0.52344 1.78571
6 3F8K COA 0.0000321 0.51071 1.875
7 1BO4 COA 0.0000007783 0.64552 2.38095
8 4KVX ACO 0.00001256 0.44461 2.5641
9 4H6U ACO 0.0009847 0.45433 2.76243
10 2Q4X HMH 0.03217 0.41965 2.76243
11 4PPF FLC 0.04625 0.41009 2.76243
12 5D4V YGP 0.009574 0.40151 2.76243
13 1N71 COA 0.00005229 0.51593 2.77778
14 2IL4 COA 0.00002245 0.54999 2.91262
15 1CM0 COA 0.0001316 0.51866 2.97619
16 4K30 NLG 0.02791 0.41475 3.125
17 5GVR LMR 0.0003884 0.54231 3.31492
18 2HHP FLC 0.004766 0.47222 3.31492
19 2AWN ADP 0.01266 0.44098 3.31492
20 2ZFN ACO 0.004161 0.4173 3.31492
21 2CB8 MYA 0.0363 0.41293 3.44828
22 2OG2 MLI 0.003966 0.48321 3.8674
23 2FT0 ACO 0.0008241 0.4747 3.8674
24 3B9Q MLI 0.01035 0.45799 3.8674
25 3P2H NOO 0.002779 0.44526 3.8674
26 4CCW VKC 0.02922 0.41902 3.8674
27 5TSH ADP 0.03469 0.41667 3.8674
28 2DPY ADP 0.03817 0.41135 3.8674
29 3I6B KDO 0.02777 0.41893 3.88889
30 4QC6 30N 0.003531 0.42642 3.91061
31 5FVJ ACO 0.000002552 0.54223 4.21687
32 1KUV CA5 0.0000001883 0.52296 4.41989
33 3TE4 ACO 0.000006454 0.54581 4.97238
34 3D2M COA 0.00005093 0.4817 4.97238
35 2YNC YNC 0.00004899 0.45526 4.97238
36 4AVB ACO 0.0005958 0.45282 4.97238
37 5H67 ATP 0.0235 0.41118 4.97238
38 5E5U 1PS 0.008538 0.41081 4.97238
39 5E5U MLI 0.03687 0.40039 4.97238
40 3JUC PCA 0.008627 0.45293 5.22876
41 4NSQ COA 0.00001469 0.55257 5.26316
42 2VBQ BSJ 0.00009065 0.45534 6.06061
43 1JJ7 ADP 0.04997 0.40734 6.07735
44 2VQO TFG 0.03582 0.40895 6.62983
45 3ZJ0 ACO 0.00009415 0.41554 6.79612
46 1IID NHM 0.00007856 0.45558 7.18232
47 5LKT BCO 0.001945 0.4344 7.73481
48 5FJJ MAN 0.01277 0.43186 7.73481
49 3TO7 COA 0.00008786 0.40925 7.73481
50 5M04 GDP 0.04763 0.40229 7.73481
51 4OEE GNX IDY 0.04855 0.40634 7.74194
52 1CJW COT 0.0000004953 0.49528 7.83133
53 1WWZ ACO 0.000003568 0.46905 8.1761
54 1IYK MYA 0.000011 0.49977 8.28729
55 1P0H COA 0.00006024 0.48077 8.28729
56 1P0H ACO 0.00006459 0.48047 8.28729
57 1QSM ACO 0.00003187 0.50191 8.55263
58 5GK9 ACO 0.0001012 0.47731 8.83978
59 2B4B COA 0.00007155 0.50976 9.35672
60 1BOB ACO 0.000007886 0.5368 10.4972
61 2VZZ SCA 0.000719 0.43654 10.4972
62 5K04 COA 0.000008542 0.5405 10.5882
63 2JDC CAO 0.0000582 0.48318 10.9589
64 1XPJ TLA 0.002865 0.47143 11.1111
65 3SXN COA 0.000001732 0.57669 11.1374
66 4P86 5GP 0.01527 0.42067 11.6022
67 5MVR ADP 0.01934 0.41923 12.3457
68 4C2Z MYA 0.00002756 0.45714 12.7072
69 4C2Z 646 0.00001498 0.40129 12.7072
70 1GXU 2HP 0.001056 0.48879 13.1868
71 3R96 AMP 0.001076 0.41153 14.3646
72 3R96 ACO 0.001076 0.41153 14.3646
73 5W8E ADE 0.0003981 0.43759 16.5746
74 5W8E SXZ 0.0003445 0.43708 16.5746
75 4C2X NHW 0.00003503 0.46809 17.1271
76 2Q4V ACO 0.000008567 0.52549 17.6471
77 2CNT COA 0.000008192 0.4398 18.125
78 2VEZ G6P 0.00001353 0.50027 18.7845
79 2VEZ ACO 0.00001764 0.49978 18.7845
80 5HGZ ACO 0.00003133 0.42578 21.547
81 1I1D COA 0.0000002761 0.59911 22.9814
82 1I1D 16G 0.000000112 0.57553 22.9814
83 4KOT CE3 0.00004267 0.45631 23.4568
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