-->
Receptor
PDB id Resolution Class Description Source Keywords
1TIQ 1.9 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF AN ACETYLTRANSFERASE (PAIA) IN COMPLEX AND DTT FROM BACILLUS SUBTILIS, NORTHEAST STRUCTURAL GENOMIS R64. BACILLUS SUBTILIS ALPHA-BETA PROTEIN STRUCTURAL GENOMICS PSI PROTEIN STRUCTINITIATIVE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM NESGTRANSCRIPTION
Ref.: STRUCTURAL AND FUNCTIONAL EVIDENCE FOR BACILLUS SUB PAIA AS A NOVEL N1-SPERMIDINE/SPERMINE ACETYLTRANSF J.BIOL.CHEM. V. 280 40328 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COA A:301;
A:303;
B:302;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
DTT A:1201;
A:1202;
Invalid;
Invalid;
none;
none;
submit data
154.251 C4 H10 O2 S2 C([C@...
SO4 B:401;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1TIQ 1.9 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF AN ACETYLTRANSFERASE (PAIA) IN COMPLEX AND DTT FROM BACILLUS SUBTILIS, NORTHEAST STRUCTURAL GENOMIS R64. BACILLUS SUBTILIS ALPHA-BETA PROTEIN STRUCTURAL GENOMICS PSI PROTEIN STRUCTINITIATIVE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM NESGTRANSCRIPTION
Ref.: STRUCTURAL AND FUNCTIONAL EVIDENCE FOR BACILLUS SUB PAIA AS A NOVEL N1-SPERMIDINE/SPERMINE ACETYLTRANSF J.BIOL.CHEM. V. 280 40328 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 1TIQ - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 1TIQ - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 1TIQ - 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1TIQ; Ligand: COA; Similar sites found with APoc: 333
This union binding pocket(no: 1) in the query (biounit: 1tiq.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 1GHE ACO None
2 4KVX ACO None
3 1YRE COA None
4 1GXU 2HP None
5 3GWL FAD None
6 1NF8 BOG None
7 1C3M MAN MAN None
8 3KPE TM3 None
9 4OIV XX9 None
10 5NNT DPV None
11 2YLD CMO None
12 4XB4 45D None
13 3OKI OKI None
14 2JJK R15 None
15 3TA2 AKG None
16 1B0U ATP None
17 5X80 SAL None
18 5N8V KZZ None
19 4WG0 CHD None
20 1SR7 MOF None
21 4OAR 2S0 None
22 5MT9 ARG None
23 5MT9 SRO None
24 4IBF 1D5 None
25 6CS8 F9Y 0.990099
26 4PGK Y69 1.11111
27 4YJ1 ADP 1.11111
28 3WYJ H78 1.11111
29 5DEY 59T 1.11111
30 5UGW GSH 1.14286
31 3ZLR X0B 1.26582
32 3KDU NKS 1.66667
33 3RC3 ANP 1.66667
34 3FEI CTM 1.66667
35 1IZC PYR 1.66667
36 5OFW 9TW 1.66667
37 3SP6 IL2 1.66667
38 5MB4 NAG 1.66667
39 2NPA MMB 1.66667
40 4QM7 GTP 1.75439
41 2WOR 2AN 2
42 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.22222
43 4U00 ADP 2.22222
44 5AZC PGT 2.22222
45 5C2H 4PX 2.22222
46 1BGQ RDC 2.22222
47 3UVD MB3 2.41935
48 3SXN COA 2.77778
49 4G86 BNT 2.77778
50 1T5C ADP 2.77778
51 4OHU NAD 2.77778
52 4OHU 2TK 2.77778
53 5FJJ MAN 2.77778
54 5N26 CPT 2.77778
55 5OSW DIU 2.77778
56 1TMX HGX 2.77778
57 5NM7 GLY 2.77778
58 5OCA 9QZ 2.77778
59 1ZED PNP 2.77778
60 4FRZ ADP 2.77778
61 6A20 ADP 2.77778
62 3COB ADP 2.77778
63 5OSW AE4 2.77778
64 6BA2 7KM 3.33333
65 2AWN ADP 3.33333
66 4ARE FLC 3.33333
67 4KFU ACP 3.33333
68 3W5J GDP 3.33333
69 4G31 0WH 3.33333
70 5W8E ADE 3.33333
71 5W8E SXZ 3.33333
72 3QCP FAD 3.33333
73 2HSA FMN 3.33333
74 2GOU FMN 3.33333
75 1O5O U5P 3.33333
76 1R0X ATP 3.33333
77 4R2I ANP 3.33333
78 4PVV HO4 3.33333
79 1HBK MYR 3.37079
80 4I67 G G G RPC 3.44828
81 2IL4 COA 3.8835
82 1BOB ACO 3.88889
83 2ZPA ACO 3.88889
84 2YNC YNC 3.88889
85 2YNE YNE 3.88889
86 2YNE NHW 3.88889
87 3TE4 ACO 3.88889
88 5EW9 5VC 3.88889
89 1G6H ADP 3.88889
90 4URN NOV 3.88889
91 3F3E LEU 3.88889
92 2W58 ADP 3.88889
93 4V3I ASP LEU THR ARG PRO 3.88889
94 2VVG ADP 3.88889
95 1YOK P6L 3.88889
96 3GD8 GOL 3.88889
97 5TSH ADP 3.88889
98 4TWP AXI 3.88889
99 4UP4 NDG 3.88889
100 6F6E PLM 3.88889
101 1XP8 AGS 3.88889
102 2R42 FPS 3.88889
103 3B5J 12D 3.88889
104 4UP4 GAL NAG 3.88889
105 1ZDU P3A 4.08163
106 1NU4 MLA 4.12371
107 3LN9 FLC 4.31655
108 3TDC 0EU 4.44444
109 4C2X NHW 4.44444
110 2BHW NEX 4.44444
111 4DE3 DN8 4.44444
112 5XQL C2E 4.44444
113 5XJ7 87O 4.44444
114 2Y65 ADP 4.44444
115 2OG2 MLI 4.44444
116 3PMA SCR 4.44444
117 4ORM FMN 4.44444
118 4ORM 2V6 4.44444
119 4ORM ORO 4.44444
120 2PZE ATP 4.44444
121 4OPC FDA 4.44444
122 1SJD NPG 4.44444
123 3LN0 52B 4.44444
124 3B9Q MLI 4.44444
125 1MZC BNE 4.44444
126 1MZC FPP 4.44444
127 3H4S ADP 4.44444
128 4WGF HX2 4.44444
129 1TV5 N8E 4.44444
130 4XU6 TDA 4.44444
131 4NVQ 2OD 4.44444
132 4WZH FMN 4.44444
133 4I4B 1CV 4.44444
134 6BR8 6OU 4.44444
135 1U0J ADP 4.49438
136 5KTC COA 4.78723
137 5KTC FUH 4.78723
138 2WSA MYA 5
139 2WSA 646 5
140 1M4I PAP 5
141 1M4I KAN 5
142 1M4I COA 5
143 3D2M COA 5
144 4OGQ 7PH 5
145 2KIN ADP 5
146 1FM9 570 5
147 4XQC NAD 5
148 5J6A P46 5
149 1RDT 570 5
150 3G9E RO7 5
151 5GT9 NAP 5
152 3FUR Z12 5
153 3EC1 GDP 5
154 5XFV FMN 5
155 3NHB ADP 5
156 4AG5 ADP 5
157 1H74 ADP 5
158 1QO8 FAD 5
159 1NHX PEP 5
160 1NHX FTB 5
161 4X8O AP5 5
162 1E2K TMC 5
163 1DKF BMS 5
164 4MKG AP5 5
165 3C3N FMN 5
166 2GMV PEP 5
167 3EYK EYK 5.23256
168 5W97 CHD 5.50459
169 2DYS TGL 5.50459
170 2DYR TGL 5.50459
171 4PSW COA 5.55556
172 5ZQS XYP 5.55556
173 4LOC OXM 5.55556
174 5AAV GW5 5.55556
175 4TV1 36M 5.55556
176 4TQK NAG 5.55556
177 1OVD ORO 5.55556
178 1OVD FMN 5.55556
179 2I0G I0G 5.55556
180 5EK3 5PK 5.55556
181 3NB0 G6P 5.55556
182 1ZIN AP5 5.55556
183 2QE4 JJ3 5.55556
184 6CGN DA 5.55556
185 4I53 1C1 5.58659
186 4V1F BQ1 5.81395
187 4PPF FLC 6.11111
188 2ZKJ ADP 6.11111
189 1JJ7 ADP 6.11111
190 2CBZ ATP 6.11111
191 1BZY IMU 6.11111
192 4OYA 1VE 6.11111
193 3LLI FAD 6.11111
194 4UTG ANP 6.11111
195 5GVR LMR 6.11111
196 2NCD ADP 6.11111
197 1DMH LIO 6.11111
198 3E70 GDP 6.11111
199 2ZR9 DTP 6.11111
200 2Y69 CHD 6.57895
201 5LX9 OLB 6.66667
202 3SCM LGN 6.66667
203 1RQH PYR 6.66667
204 1Q9I FAD 6.66667
205 1Q9I TEO 6.66667
206 1GEG GLC 6.66667
207 3GZ9 D32 6.66667
208 3WDM ADN 6.66667
209 3OIX FMN 6.66667
210 5TCI MLI 6.66667
211 2O1V ADP 6.66667
212 3HB5 NAP 6.66667
213 5TVJ COA 7.22222
214 5TVJ 7LF 7.22222
215 1RRC ADP 7.22222
216 1ME8 RVP 7.22222
217 2YI0 YI0 7.22222
218 5X3R 7Y3 7.22222
219 5UC4 83S 7.22222
220 6GD6 EVB 7.40741
221 5MU6 KFK 7.77778
222 5MU6 MYA 7.77778
223 5GK9 ACO 7.77778
224 2HHP FLC 7.77778
225 1G8S MET 7.77778
226 1HK8 DGT 7.77778
227 5LOF 70R 7.77778
228 2OM2 GDP 7.77778
229 5G5G FAD 7.77778
230 1F9V ADP 7.77778
231 1OYB FMN 7.77778
232 5ZXD ATP 7.77778
233 1DTL BEP 8.07453
234 4MNS 2AX 8.1761
235 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 8.33333
236 4UWJ 7L5 8.33333
237 4UWJ MYA 8.33333
238 2D2F ADP 8.33333
239 1K7L 544 8.33333
240 5YV5 ADP 8.33333
241 1YQT ADP 8.33333
242 6C7D EOJ 8.33333
243 4WBD CIT 8.33333
244 1T0S BML 8.33333
245 1N62 MCN 8.33333
246 1FFU CDP 8.58896
247 3B6C SDN 8.88889
248 5WL1 CUY 9.44444
249 1JI0 ATP 9.44444
250 2E9L OLA 9.44444
251 2E9L BGC 9.44444
252 2E9L PLM 9.44444
253 1SVM ATP 9.44444
254 4RW3 TDA 10
255 5IXK 6EW 10
256 3LRE ADP 10
257 5E5U MLI 10
258 5NTP 98E 10
259 1EWF PC1 10
260 5OLZ T4E 10.5556
261 2D5X L35 10.6383
262 4H6U ACO 11.1111
263 4B5P ACO 11.1111
264 1S7N COA 11.1111
265 1RJW ETF 11.1111
266 2J07 FAD 11.1111
267 2J07 HDF 11.1111
268 2RGX AP5 11.1111
269 5YGE ACO 12.069
270 5YGE GLU 12.069
271 2VZZ SCA 12.2222
272 4TMC HBA 12.2222
273 6GMN F4E 12.3457
274 4AG9 COA 12.7273
275 4NSQ COA 12.7778
276 1ZOY UQ1 12.7778
277 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 12.7778
278 5IM3 DTP 12.7778
279 4F4S EFO 13.1579
280 6EDV COA 13.3333
281 4WZ6 ATP 13.3333
282 3MJY IJZ 13.3333
283 3MJY FMN 13.3333
284 3W54 RNB 13.3333
285 1M2Z BOG 13.3333
286 1CM0 COA 13.6905
287 5H86 BCO 13.6905
288 5HGZ ACO 13.8889
289 5HH0 COA 13.8889
290 3TO7 COA 13.8889
291 1Q2D COA 14.1975
292 1QSN COA 14.1975
293 1QSR ACO 14.1975
294 1Q2C COA 14.1975
295 1W55 GPP 15
296 6ARJ BW4 15.1862
297 6ARJ SAH 15.1862
298 1IID NHM 15.5556
299 4U9W COA 16.1111
300 2CNT COA 16.25
301 2B4B COA 16.3743
302 2B4D COA 16.3743
303 1QSM ACO 16.4474
304 1IYK MYA 16.6667
305 4QC6 30N 16.7598
306 2VBQ BSJ 16.9697
307 4UA3 COA 17.2222
308 2JEV NHQ 17.2414
309 3L9R L9R 17.3469
310 3L9R L9Q 17.3469
311 2Q4V ACO 17.6471
312 2WPW ACO 17.7778
313 2WPX ACO 17.7778
314 2GWH PCI 17.7778
315 1KUV CA5 18.3333
316 1I1D COA 19.2547
317 1I1D 16G 19.2547
318 5K04 COA 20
319 3R96 ACO 20.5556
320 3R96 AMP 20.5556
321 5ECP ATP 20.5556
322 5B4B LP5 21.1111
323 4RI1 ACO 22.2222
324 5OM2 DXT 22.5
325 1V0C ACO 22.7778
326 1V0C KNC 22.7778
327 5JPH COA 22.9167
328 1N71 COA 25
329 5XXS COA 26.5152
330 1WWZ ACO 27.673
331 4R3L COA 32.948
332 5LS7 ACO 46.7153
333 4CRZ ACO 46.7153
Pocket No.: 2; Query (leader) PDB : 1TIQ; Ligand: COA; Similar sites found with APoc: 67
This union binding pocket(no: 2) in the query (biounit: 1tiq.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3KPB SAM None
2 3SUD SUE None
3 3VPH NAD None
4 3VPH OXM None
5 2FXV 5GP None
6 4ASE AV9 1.11111
7 2XCF BBQ 1.11111
8 4D86 ADP 1.66667
9 5C2H 4XU 2.22222
10 4JYD SAH 2.22222
11 5TWJ SAM 2.46914
12 1P9P SAH 2.77778
13 5HI5 63Q 2.77778
14 3CZ7 ACO 2.77778
15 2ZFN ACO 2.77778
16 5MJA 7O3 2.77778
17 2OO8 RAJ 3.33333
18 5GSN FAD 3.33333
19 4IDC 1XX 3.33333
20 4IDC NDP 3.33333
21 3G4G D71 3.33333
22 1S3K FUC GAL NDG FUC 3.33333
23 3GNE FLC 3.33333
24 3F5O UOC COA 3.37838
25 3EWR APR 3.57143
26 4MCC 21X 3.88889
27 2C6Q NDP 3.88889
28 1LDN NAD 3.88889
29 4K30 NLG 4.375
30 3VKC FPQ 4.44444
31 3FC4 EDO 4.44444
32 3G2Y GF4 4.44444
33 4CNG SAH 5
34 6C6O ENG 5.55556
35 3OLL EST 5.55556
36 4MG8 27J 5.55556
37 1U3R 338 5.55556
38 4TUZ 36J 5.55556
39 5HES 032 5.55556
40 3NK7 SAM 6.11111
41 2RDE C2E 6.66667
42 5MW4 5JU 6.66667
43 3BNK FMN 6.66667
44 4HDQ GNP 6.66667
45 1YOA FAD 6.91824
46 5HSA FAS 7.77778
47 4XTX 590 7.77778
48 9LDB NAD 7.77778
49 9LDT NAD 7.77778
50 2QZZ NAP 7.77778
51 1LDM NAD 7.77778
52 5FP4 YC8 7.77778
53 4D42 W0I 8.33333
54 4D42 NAP 8.33333
55 1N62 FAD 8.33333
56 5DXT 5H5 8.33333
57 5U1M ACE LEU TYR ALA SER SER ASN PRO ALA PTR 8.57143
58 1FFU FAD 8.58896
59 2CYE COA 9.77444
60 5W4W 9WG 10
61 4KBA 1QM 10
62 5V2J UDP 12.2222
63 5V2J 7WV 12.2222
64 1PVC ILE SER GLU VAL 13.3333
65 1OPK P16 18.8889
66 4PIO AVI 25
67 4PIO SAH 25
Pocket No.: 3; Query (leader) PDB : 1TIQ; Ligand: COA; Similar sites found with APoc: 22
This union binding pocket(no: 3) in the query (biounit: 1tiq.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 6C74 PC None
2 4DO1 ANN 1.66667
3 5I8F ML1 3.33333
4 2B6N ALA PRO THR 3.33333
5 4Q0A 4OA 3.88889
6 4I54 1C1 4.44444
7 4I4B NAD 4.44444
8 5OLK DTP 4.44444
9 3BIY 01K 4.44444
10 1XX6 ADP 5
11 3SQP 3J8 5
12 4MGA 27L 5.55556
13 1EYQ NAR 5.55556
14 3AI3 SOE 6.11111
15 1MJT NAD 6.66667
16 4J36 FAD 7.22222
17 4J36 1HR 7.22222
18 5WL1 D3D 9.44444
19 5LKT BCO 10.5556
20 4RJD TFP 10.6061
21 2X61 CH 16.1111
22 5ECP JAA 20.5556
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