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Receptor
PDB id Resolution Class Description Source Keywords
5KVS 1.28 Å NON-ENZYME: OTHER SUBSTRATE ANALOG AND NADP+ BOUND STRUCTURE OF IRP3, A THIAZO IMINE REDUCTASE FROM YERSINIA ENTEROCOLITICA YERSINIA ENTEROCOLITICA IMINE REDUCTASE OXIDOREDUCTASE IRP3 SIDEROPHORE SUBSTRATHPTT-COOH YERSINIABACTIN
Ref.: HOLO STRUCTURE AND STEADY STATE KINETICS OF THE THI IMINE REDUCTASES FOR SIDEROPHORE BIOSYNTHESIS. BIOCHEMISTRY V. 55 5423 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP B:401;
A:401;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
6XR B:402;
A:402;
Valid;
Valid;
none;
none;
submit data
306.36 C13 H10 N2 O3 S2 c1ccc...
FMT B:404;
A:404;
Invalid;
Invalid;
none;
none;
submit data
46.025 C H2 O2 C(=O)...
EDO B:403;
A:403;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KVS 1.28 Å NON-ENZYME: OTHER SUBSTRATE ANALOG AND NADP+ BOUND STRUCTURE OF IRP3, A THIAZO IMINE REDUCTASE FROM YERSINIA ENTEROCOLITICA YERSINIA ENTEROCOLITICA IMINE REDUCTASE OXIDOREDUCTASE IRP3 SIDEROPHORE SUBSTRATHPTT-COOH YERSINIABACTIN
Ref.: HOLO STRUCTURE AND STEADY STATE KINETICS OF THE THI IMINE REDUCTASES FOR SIDEROPHORE BIOSYNTHESIS. BIOCHEMISTRY V. 55 5423 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5KVS - 6XR C13 H10 N2 O3 S2 c1ccc(c(c1....
2 5KVQ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
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 5KVS - 6XR C13 H10 N2 O3 S2 c1ccc(c(c1....
2 5KVQ - NAP C21 H28 N7 O17 P3 c1cc(c[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 5KVS - 6XR C13 H10 N2 O3 S2 c1ccc(c(c1....
2 5KVQ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAP; Similar ligands found: 123
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NHD 0.68254 0.958904
10 NJP 0.661417 0.972973
11 NFD 0.658915 0.934211
12 NXX 0.619048 0.959459
13 DND 0.619048 0.959459
14 AMP NAD 0.606061 0.958904
15 ZID 0.605839 0.972603
16 NAQ 0.59854 0.922078
17 ATR 0.59292 0.917808
18 NAE 0.591241 0.946667
19 NDE 0.58042 0.986301
20 A22 0.571429 0.958904
21 NAJ 0.567164 0.986111
22 A2R 0.563025 0.932432
23 NDC 0.561644 0.922078
24 NA7 0.552846 0.907895
25 ODP 0.551471 0.935065
26 A2P 0.539823 0.930556
27 8ID 0.537313 0.910256
28 NPW 0.525547 0.8875
29 NZQ 0.521739 0.910256
30 CNA 0.521739 0.959459
31 NDP 0.514493 0.922078
32 PO4 PO4 A A A A PO4 0.503937 0.930556
33 1DG 0.503401 0.922078
34 DG1 0.503401 0.922078
35 TXP 0.5 0.922078
36 NMN AMP PO4 0.492958 0.921053
37 XNP 0.492958 0.875
38 25L 0.492308 0.958904
39 25A 0.492063 0.972222
40 NMN 0.486726 0.888889
41 NGD 0.485714 0.935065
42 9JJ 0.481707 0.8875
43 2AM 0.477876 0.891892
44 ADP 0.458333 0.945205
45 PAP 0.451613 0.931507
46 A2D 0.445378 0.945205
47 AN2 0.442623 0.932432
48 7L1 0.441558 0.777778
49 ADP PO3 0.44 0.944444
50 SAP 0.44 0.896104
51 AGS 0.44 0.896104
52 M33 0.439024 0.906667
53 AR6 AR6 0.438849 0.945205
54 BA3 0.438017 0.945205
55 OAD 0.43609 0.92
56 ADP BMA 0.43609 0.92
57 DQV 0.435714 0.958904
58 HEJ 0.435484 0.945205
59 ATP 0.435484 0.945205
60 OOB 0.435115 0.958904
61 B4P 0.434426 0.945205
62 AP5 0.434426 0.945205
63 GAP 0.433071 0.92
64 0WD 0.432432 0.922078
65 2A5 0.432 0.87013
66 5FA 0.432 0.945205
67 AQP 0.432 0.945205
68 AT4 0.430894 0.907895
69 00A 0.428571 0.909091
70 DAL AMP 0.427481 0.932432
71 CA0 0.427419 0.92
72 ADP ALF 0.426357 0.871795
73 ALF ADP 0.426357 0.871795
74 9X8 0.425373 0.871795
75 ACP 0.424 0.92
76 NAJ PZO 0.423841 0.897436
77 9SN 0.423358 0.897436
78 ADP VO4 0.423077 0.932432
79 VO4 ADP 0.423077 0.932432
80 WAQ 0.422222 0.884615
81 V3L 0.421875 0.945205
82 ACQ 0.421875 0.92
83 ADQ 0.421053 0.92
84 AR6 0.420635 0.918919
85 APR 0.420635 0.918919
86 ATP A A A 0.42029 0.958333
87 CO7 0.419753 0.786517
88 3OD 0.419118 0.92
89 1ZZ 0.419118 0.841463
90 DLL 0.41791 0.958904
91 AD9 0.417323 0.92
92 NAX 0.416667 0.875
93 OVE 0.416667 0.857143
94 MYR AMP 0.416058 0.841463
95 AV2 0.415385 0.868421
96 A3P 0.414634 0.944444
97 NNR 0.414414 0.72973
98 OMR 0.413793 0.831325
99 6YZ 0.412214 0.92
100 ANP 0.410853 0.92
101 A1R 0.410448 0.860759
102 ABM 0.409836 0.893333
103 A 0.408333 0.944444
104 AMP 0.408333 0.944444
105 SON 0.408 0.933333
106 PPS 0.407692 0.829268
107 5AL 0.407692 0.932432
108 NAI 0.406897 0.909091
109 7D3 0.406504 0.857143
110 ADX 0.404762 0.829268
111 ATF 0.40458 0.907895
112 3UK 0.404412 0.945946
113 TYR AMP 0.404255 0.921053
114 AMP DBH 0.404255 0.894737
115 139 0.402685 0.875
116 50T 0.401575 0.906667
117 SRP 0.401515 0.907895
118 A A 0.40146 0.972222
119 B5V 0.40146 0.933333
120 A3R 0.4 0.860759
121 3AM 0.4 0.90411
122 B5M 0.4 0.921053
123 FA5 0.4 0.933333
Ligand no: 2; Ligand: 6XR; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 6XR 1 1
2 WG8 0.472973 0.833333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KVS; Ligand: NAP; Similar sites found with APoc: 596
This union binding pocket(no: 1) in the query (biounit: 5kvs.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 1LOJ URI None
2 1LOJ U None
3 1UO5 PIH None
4 3NJ4 NAD 1.03896
5 3NJ4 AFX 1.03896
6 1PGP 6PG 1.03896
7 4JDR FAD 1.03896
8 4KP7 NAP 1.2987
9 4KP7 1UQ 1.2987
10 5H81 NAP 1.2987
11 3WQQ IB3 1.2987
12 3WQQ NDP 1.2987
13 1FEC FAD 1.2987
14 3LAD FAD 1.2987
15 5Y8L NAD 1.35593
16 5Y8L HUI 1.35593
17 1EBF NAD 1.39665
18 1YKF NAP 1.42045
19 2G5C NAD 1.42349
20 3WGT QSC 1.44092
21 3WGT FAD 1.44092
22 5YU3 PRO 1.45349
23 5YU3 NAD 1.45349
24 5N53 8NB 1.53846
25 1V8B NAD 1.55844
26 1X87 NAD 1.55844
27 1GQ2 NAP 1.55844
28 1RM0 D6P 1.55844
29 1RM0 NAI 1.55844
30 1E5Q NDP 1.55844
31 1PJS NAD 1.55844
32 5X20 NAD 1.60256
33 3RC1 NAP 1.71429
34 3RC1 TLO 1.71429
35 5OCM NAP 1.71821
36 3BJE R1P 1.7192
37 3B1F NAD 1.72414
38 3TWO NDP 1.72414
39 4ZVV GN0 1.80723
40 4ZVV NAD 1.80723
41 5NUE NAD 1.80723
42 5NUF NAD 1.80723
43 1UWK URO 1.81818
44 1UWK NAD 1.81818
45 3ICS ADP 1.81818
46 2YG3 FAD 1.81818
47 3ICT ADP 1.81818
48 2YVF NAD 1.81818
49 2YVF FAD 1.81818
50 1U1I NAD 1.81818
51 3ICS FAD 1.81818
52 1H82 FAD 1.81818
53 3CGD COA 1.81818
54 3ICR FAD 1.81818
55 1H82 GZZ 1.81818
56 3CGB FAD 1.81818
57 3CGD NAD 1.81818
58 3CGD FAD 1.81818
59 6C4T NA7 1.81818
60 3LXD FAD 1.81818
61 3ICT FAD 1.81818
62 1AE1 NAP 1.8315
63 2O4C NAD 1.84211
64 1F8F NAD 1.88679
65 6F5W KG1 1.89702
66 1H2B NAJ 1.94986
67 3DAG FEG 1.95531
68 1PL6 572 1.96629
69 1PL6 NAD 1.96629
70 1X7D ORN 2
71 1X7D NAD 2
72 1VI2 NAD 2
73 5T2U NAP 2.01613
74 1R37 NAD 2.01729
75 1GZ4 ATP 2.07792
76 3UCL NAP 2.07792
77 3UCL FAD 2.07792
78 3UCL CYH 2.07792
79 1MO9 FAD 2.07792
80 1MO9 KPC 2.07792
81 2QA1 FAD 2.07792
82 1B8U NAD 2.07792
83 4D7E FAD 2.07792
84 1NPD NAD 2.08333
85 2VHW NAI 2.12202
86 1E3I CXF 2.12766
87 2J0B UDP 2.14286
88 4CJX NAP 2.19436
89 4UP3 NDP 2.2293
90 5FI3 NAP 2.2409
91 1BW9 NAD 2.24719
92 1BXG NAD 2.24719
93 1C1X NAD 2.25352
94 1C1X HFA 2.25352
95 1HYH NAD 2.26537
96 5X9D 80F 2.30263
97 2CDU ADP 2.33766
98 4D04 FAD 2.33766
99 4D04 NAP 2.33766
100 1YKJ FAD 2.33766
101 1YKJ PHB 2.33766
102 5NMX NAP 2.33766
103 3ULK NDP 2.33766
104 2DKH FAD 2.33766
105 5X68 FAD 2.33766
106 1UDB NAD 2.33766
107 1UDB UFG 2.33766
108 1OBB NAD 2.33766
109 2E5V FAD 2.33766
110 5J7X FAD 2.33766
111 1F8G NAD 2.34375
112 5OJL TXP 2.34899
113 1J5P NAD 2.37154
114 3A06 NDP 2.39362
115 3A06 FOM 2.39362
116 4YT4 FE9 2.4
117 1C3V NDP 2.44898
118 1GR0 NAD 2.45232
119 1OMO NAD 2.48447
120 5LD5 NAD 2.51397
121 2B5W NAP 2.52101
122 2DC1 NAD 2.54237
123 5O9F 9ON 2.55682
124 5O9F NAD 2.55682
125 1SB8 UD2 2.55682
126 1SB8 NAD 2.55682
127 1KEV NDP 2.5641
128 4KQW NAP 2.57143
129 2Q0L NAP 2.57235
130 1DLJ NAI 2.5974
131 1DLJ UGA 2.5974
132 5G3U FDA 2.5974
133 5G3U ITW 2.5974
134 1ZK7 FAD 2.5974
135 4M52 M52 2.5974
136 4M52 FAD 2.5974
137 2A8X FAD 2.5974
138 1UP7 NAD 2.5974
139 3H9E NAD 2.60116
140 2WD7 VGD 2.61194
141 3NYC IAR 2.62467
142 3NYC FAD 2.62467
143 3WLE NAD 2.6393
144 1O6Z NAD 2.64026
145 4XDY NAI 2.66272
146 3V1Y NAD 2.67062
147 1DSS NAD 2.7027
148 1J0X NAD 2.71084
149 6A0S NDP 2.71084
150 6A0S HSE 2.71084
151 4PLT OXM 2.71903
152 4PLT NAI 2.71903
153 1PZG A3D 2.71903
154 3OJF NDP 2.72374
155 3OJF IMJ 2.72374
156 4EA7 JB2 2.72727
157 4EA7 COA 2.72727
158 4E5N NAD 2.72727
159 1N1G BCP 2.73224
160 1YQZ FAD 2.73973
161 2HJR APR 2.7439
162 1LTH NAD 2.82132
163 1G0N NDP 2.82686
164 4D42 NAP 2.83688
165 4D42 W0I 2.83688
166 5ZYN FAD 2.85714
167 6F7L FAD 2.85714
168 1Q1R FAD 2.85714
169 2XVF FAD 2.85714
170 2XVE FAD 2.85714
171 2BGM NAJ 2.8777
172 1GV0 NAD 2.90323
173 4D3F NAP 2.90323
174 1GUZ NAD 2.90323
175 1UXG FUM 2.91262
176 1UXG NAD 2.91262
177 6BYF CIT 2.94118
178 5JE8 NAD 2.98013
179 1V6A TRE 3.01205
180 5T2Y 753 3.0303
181 1T26 GBD 3.10559
182 1T26 NAI 3.10559
183 2CVZ NDP 3.11419
184 2A92 NAI 3.11526
185 1V59 NAD 3.11688
186 4EDF UPG 3.11688
187 2IID FAD 3.11688
188 2IID PHE 3.11688
189 3GD4 NAD 3.11688
190 1H9A NAP 3.11688
191 1LJ8 NAD 3.11688
192 1GTE FAD 3.11688
193 1V59 FAD 3.11688
194 1M2W NAD 3.11688
195 3PA8 621 3.14961
196 5UR0 NAD 3.15186
197 1ZQ9 SAM 3.15789
198 1LDN NAD 3.16456
199 6C4M NAP 3.16456
200 2DFV NAD 3.17003
201 5ZI2 NAD 3.18841
202 5ZI2 ADP 3.18841
203 2GN4 NDP 3.19767
204 2GN4 UD1 3.19767
205 1Q0H NDP 3.20197
206 1Q0H FOM 3.20197
207 1NVM NAD 3.20513
208 4ZRN UPG 3.20513
209 4ZRN NAD 3.20513
210 2EWM NAD 3.21285
211 5U5N NAD 3.22581
212 5W3K NDP 3.23529
213 5W3K 9TY 3.23529
214 4BVA T3 3.28358
215 4BVA NDP 3.28358
216 4Z0H NAD 3.29341
217 2DBZ NAP 3.29341
218 1YJQ NAP 3.30033
219 9LDB NAD 3.31325
220 9LDT NAD 3.31325
221 5N6C NAD 3.33333
222 5Z21 NAI 3.35196
223 2X6T NAP 3.36134
224 2IZ1 ATR 3.37662
225 2NVK NAP 3.37662
226 1MV8 NAD 3.37662
227 1WDK NAD 3.37662
228 1MUU NAD 3.37662
229 2NU8 COA 3.37662
230 4XYB NDP 3.37662
231 4ZGS NAD 3.37662
232 1VJT NAD 3.37662
233 3FWN ATR 3.37662
234 3NT6 FAD 3.37662
235 1LVL NAD 3.37662
236 3NTA FAD 3.37662
237 5Z2F NAP 3.39623
238 4TQG NDP 3.40557
239 6EL3 NAP 3.41207
240 5GT9 NAP 3.42205
241 1WP4 NDP 3.46021
242 2AE2 PTO 3.46154
243 2AE2 NAP 3.46154
244 1VM6 NAD 3.50877
245 1P1C SAH 3.51759
246 1LSS NAD 3.57143
247 5MLJ 9ST 3.57143
248 2FZW NAD 3.63636
249 6AM8 TRP 3.63636
250 2GCG NDP 3.63636
251 2IVD FAD 3.63636
252 4AP3 NAP 3.63636
253 4AP3 FAD 3.63636
254 3NTD FAD 3.63636
255 1SC6 NAD 3.63636
256 5EES NAP 3.64372
257 1BXK NAD 3.66197
258 2PV7 NAD 3.69128
259 5UAV TFB 3.72671
260 5UAV NDP 3.72671
261 1ORR NAD 3.7464
262 6CEP NAD 3.89222
263 6CEP OXM 3.89222
264 2IXB NAD 3.8961
265 3T31 DCQ 3.8961
266 3T31 FAD 3.8961
267 1RSG FAD 3.8961
268 1YY5 FAD 3.8961
269 2GSD NAD 3.8961
270 2IXB A2G 3.8961
271 2GZ3 NAP 3.8961
272 5MZI FYK 3.8961
273 5MZI FAD 3.8961
274 2FR1 NDP 3.90947
275 4XZ3 COA 3.91304
276 4XYM COA 3.91304
277 1CER NAD 3.92749
278 1XG5 NAP 3.94265
279 4B4U NAP 3.9604
280 6BWL NAD 3.96341
281 3HB5 NAP 3.97554
282 3NGL NAP 3.98551
283 1P0F NAP 4.02145
284 1H5Q NAP 4.15094
285 5TOW ADN 4.15584
286 5TOW NAI 4.15584
287 6ER9 FAD 4.15584
288 6ER9 NAP 4.15584
289 4JK3 NAD 4.15584
290 4PLG NAI 4.15584
291 4PLG OXM 4.15584
292 5Z20 NAI 4.15584
293 4FWE FAD 4.15584
294 5GSN NAP 4.15584
295 5GSN FAD 4.15584
296 4PIV NDP 4.15584
297 6B5G NAD 4.15584
298 6B5G CQY 4.15584
299 4U8P UDP 4.15584
300 5GSN MMZ 4.15584
301 4U8P FDA 4.15584
302 1NVT NAP 4.18118
303 1J49 NAD 4.2042
304 3HAD NAD 4.22078
305 4E13 NAD 4.24028
306 4RQU NAD 4.26667
307 2JHF NAD 4.27807
308 1U3U BNF 4.27807
309 1U3U NAD 4.27807
310 5DF1 NAP 4.34783
311 5DF1 58X 4.34783
312 1P77 ATR 4.41176
313 3OND ADN 4.41558
314 3OND NAD 4.41558
315 4J4H NAI 4.41558
316 4J4H 1J1 4.41558
317 5JWC FAD 4.41558
318 5U8U FAD 4.41558
319 1DJN ADP 4.41558
320 2NPX NAD 4.41558
321 2NPX FAD 4.41558
322 5L13 6ZE 4.41558
323 1NYT NAP 4.42804
324 1CF2 NAP 4.45104
325 3GEG NAD 4.45344
326 5OFW 9TW 4.4843
327 6BII NAP 4.5045
328 3VPH OXM 4.51613
329 3VPH NAD 4.51613
330 5ML0 P2L 4.54545
331 1LDM NAD 4.55927
332 2AG8 NAP 4.56274
333 1Y8Q ATP 4.62428
334 4JJF FE9 4.65116
335 4JJF N2I 4.65116
336 6F3N ADN 4.67532
337 6F3N NAD 4.67532
338 5CAE SIN 4.67532
339 1KOL NAD 4.67532
340 5CAE COA 4.67532
341 6C4N NAP 4.67532
342 2B4R NAD 4.67532
343 2B4R AES 4.67532
344 5MLR GRQ 4.67532
345 5MLR NAP 4.67532
346 6F3M NAD 4.67532
347 2VVM FAD 4.67532
348 2VVL FAD 4.67532
349 3UOY FAD 4.67532
350 3UOY NAP 4.67532
351 4D79 ATP 4.71014
352 1KYQ NAD 4.74453
353 1YS4 NAP 4.80226
354 4EMI NAD 4.87805
355 1HDR NAD 4.91803
356 2RAB NAD 4.93506
357 1O0S NAI 4.93506
358 2RAB FAD 4.93506
359 1QG6 NAD 4.98084
360 1QG6 TCL 4.98084
361 4YCA NDP 5.10204
362 2VYN NAD 5.13595
363 1GAD NAD 5.15152
364 5T9F TYR 5.16605
365 5T9F NAP 5.16605
366 1XHC FAD 5.17711
367 1HKU NAD 5.19481
368 3AXB PRO 5.19481
369 3AXB FAD 5.19481
370 4NBU NAI 5.2
371 1LLU NAD 5.26316
372 2D2I NAP 5.26316
373 4MP8 MLI 5.30973
374 4MP8 NAD 5.30973
375 1F06 NDP 5.3125
376 1EDO NAP 5.32787
377 3CTY FAD 5.32915
378 5TC4 NAD 5.37975
379 5KKA 6V0 5.44872
380 3ZNN FAD 5.4755
381 3ZNN 4WL 5.4755
382 2NXE SAM 5.51181
383 4RF2 NAP 5.51471
384 1K3T BRZ 5.57103
385 1VL8 NAP 5.61798
386 5AOV NAP 5.65476
387 5LQ8 GB 5.67376
388 2F1K NAP 5.71429
389 1BZL FAD 5.71429
390 1BZL GCG 5.71429
391 2WPF WPF 5.71429
392 6DNT NAD 5.71429
393 2WPF FAD 5.71429
394 1PN0 FAD 5.71429
395 1PN0 IPH 5.71429
396 3D3W NAP 5.7377
397 1PR9 NAP 5.7377
398 5ZBC FAD 5.76497
399 1EJ4 M7G 5.78947
400 3B20 NAD 5.8997
401 1SOW NAD 5.97403
402 2V6G NAP 6.04396
403 4W6Z 8ID 6.05187
404 3QV1 NAD 6.09756
405 2YYY NAP 6.12245
406 3CIF G3H 6.12813
407 3CIF NAD 6.12813
408 5ZZ6 NAD 6.23377
409 5ZZ6 ADP 6.23377
410 1H16 DTL 6.23377
411 4ZCC FAD 6.25
412 4ZCC NAI 6.25
413 6F9Q NAD 6.25
414 4MDH NAD 6.28743
415 3CMC NAD 6.28743
416 3CH6 311 6.29371
417 3CH6 NAP 6.29371
418 5C9P FUC 6.29921
419 5MDH NAD 6.30631
420 5U5G NAP 6.44068
421 4GUT FAD 6.45161
422 1PS9 FAD 6.49351
423 2RH4 EMO 6.4982
424 3H8V ATP 6.50685
425 4K26 NDP 6.52174
426 4K26 SFF 6.52174
427 4CQM NAP 6.55738
428 1O94 ADP 6.5625
429 3KB6 NAD 6.58683
430 2QZZ NAP 6.60377
431 2QZZ EMF 6.60377
432 3BAZ NAP 6.60661
433 1HDG NAD 6.62651
434 1SAY PYR 6.6482
435 1CDO NAD 6.75325
436 2QRK AMP 6.75325
437 1RJW ETF 6.78466
438 4OM8 NAD 6.79612
439 2EV9 SKM 6.84411
440 2EV9 NAP 6.84411
441 4YSX FAD 6.91489
442 5J5Z FAD 7.01299
443 4G5H UD7 7.01299
444 4G5H NAP 7.01299
445 5MIT NAP 7.01299
446 5MIT FAD 7.01299
447 5TUF FAD 7.01299
448 5TUF TDC 7.01299
449 4TXI FAD 7.01299
450 4EUE NAI 7.01299
451 3RNM FAD 7.01299
452 5A1T NAI 7.03812
453 5A1T OXM 7.03812
454 3QPB R1P 7.0922
455 3Q9N COA 7.0922
456 4GKV NAD 7.14286
457 2GMM MAN MAN 7.14286
458 2GNB MAN 7.14286
459 1UKG MMA 7.14286
460 2ZJ1 NAD 7.27273
461 2ZJ1 ARJ 7.27273
462 4J36 FAD 7.27273
463 4J36 1HR 7.27273
464 2PD4 DCN 7.27273
465 2PD4 NAD 7.27273
466 5O42 9JW 7.29927
467 5O42 BGC 7.29927
468 5O42 NAD 7.29927
469 5Z2L NDP 7.34694
470 5T9E NAP 7.38007
471 5EIN NAP 7.40741
472 2Q1S NAI 7.42706
473 3GFB NAD 7.42857
474 4TSK NDP 7.42857
475 1D1T NAD 7.5067
476 4OOE NDP 7.53247
477 4OOE FOM 7.53247
478 1KY8 NAP 7.53247
479 2NAD NAD 7.53247
480 3QJ4 FAD 7.60234
481 2CUL FAD 7.75862
482 5E4R NAP 7.79221
483 2XG5 EC5 7.79817
484 2XG5 EC2 7.79817
485 4DPL NAP 7.79944
486 2PZM UDP 7.87879
487 2PZM NAD 7.87879
488 1JAY NAP 8.01887
489 1U7T TDT 8.04598
490 5M67 NAD 8.05195
491 5M67 ADE 8.05195
492 5M67 3D1 8.05195
493 1JNR FAD 8.05195
494 3TN7 NJP 8.17121
495 5N2I NAP 8.18966
496 1X14 NAD 8.31169
497 2DTX BMA 8.33333
498 3WMX NAD 8.37989
499 1DIG NAP 8.49673
500 1DIG L37 8.49673
501 5Z75 NAD 8.56269
502 1YQD NAP 8.57143
503 2C5A NAD 8.57143
504 2C5A GDC 8.57143
505 3HVJ 705 8.59729
506 4XUC SAM 8.7156
507 4XUC 43G 8.7156
508 1ZK4 NAP 8.76494
509 4XQC NAD 8.83117
510 4XQC 13D 8.83117
511 1EQ2 NAP 8.83117
512 3ETG GTP 8.83117
513 3ETG GLU 8.83117
514 3ETG NDP 8.83117
515 1QO8 FAD 8.83117
516 2VT3 ATP 8.83721
517 2JAP NDP 8.90688
518 3AYI FAD 9.09091
519 3AYI HCI 9.09091
520 4FC7 COA 9.09091
521 4FC7 NAP 9.09091
522 6CI9 NAP 9.26641
523 1EZ4 NAD 9.43396
524 5A04 BGC 9.43953
525 5A04 NDP 9.43953
526 1RPN NDP 9.55224
527 4J7U NAP 9.72222
528 4J7U YTZ 9.72222
529 5BSH PRO 9.74729
530 2CVQ NDP 9.78593
531 4II2 ATP 9.81595
532 5TS5 FAD 9.87013
533 1Z6Z NAP 9.92908
534 5L95 AMP 10
535 4L8V NAP 10.089
536 1REO FAD 10.1299
537 1GY8 NAD 10.1299
538 1XSE NDP 10.1695
539 3S5W NAP 10.3896
540 5JY6 NAD 10.3933
541 2AOT SAH 10.6164
542 3SJ7 NDP 10.7143
543 1VBO MAN 10.7383
544 3ORF NAD 10.757
545 2DT5 NAD 10.9005
546 3ABI NAD 10.9589
547 2YVJ NAI 11.0092
548 4XB2 NDP 11.1688
549 4XB2 HSE 11.1688
550 2AHR NAP 11.1969
551 5YAP 8S0 11.3158
552 5YAP NAI 11.3158
553 2OOR NAD 11.4943
554 1E3W NAD 11.4943
555 1E6W NAD 11.5385
556 5YEC ATP 11.7647
557 4RDI ATP 11.8056
558 2HMT NAI 11.8056
559 4RDH AMP 11.8056
560 2GAG NAD 11.9048
561 6AA8 NAD 11.9205
562 1OAA OAA 11.9691
563 3L4S 3PG 12.2024
564 3L4S NAD 12.2024
565 1UAY ADN 12.3967
566 2B4Q NAP 12.6812
567 4KOA NDP 12.9129
568 5AYV KPL 12.945
569 5AYV NAP 12.945
570 1RYD NDP 13.1783
571 1H6C NDP 13.2468
572 1H6C SIN 13.2468
573 2CDC XYS 13.6612
574 2CDC XYP 13.6612
575 2CDC NAP 13.6612
576 5GZ6 NDP 13.8037
577 5GZ6 7C3 13.8037
578 3ITJ CIT 14.2012
579 3GGO NAI 14.9682
580 3GGO ENO 14.9682
581 6A3J SOE 15.122
582 6A3J NAI 15.122
583 2GLX NDP 15.3614
584 5F7J ADE 15.625
585 5XVH NAP 15.6863
586 2HK9 ATR 16.6234
587 2HK9 NAP 16.6234
588 3GUZ PAF 17.0455
589 3WBF NAP 19.0164
590 3WBF API 19.0164
591 3AD8 NAD 19.1919
592 1QH9 LAC 19.3966
593 1ZH8 NAP 19.7059
594 4HSU FAD 20
595 2F5Z FAD 26.5625
596 4GUS FAD 28.5714
Pocket No.: 2; Query (leader) PDB : 5KVS; Ligand: 6XR; Similar sites found with APoc: 353
This union binding pocket(no: 2) in the query (biounit: 5kvs.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 3NJ4 NAD 1.03896
2 3NJ4 AFX 1.03896
3 1PGP 6PG 1.03896
4 5H81 NAP 1.2987
5 4KP7 NAP 1.2987
6 4KP7 1UQ 1.2987
7 3WQQ NDP 1.2987
8 3WQQ IB3 1.2987
9 5Y8L NAD 1.35593
10 5Y8L HUI 1.35593
11 1EBF NAD 1.39665
12 2G5C NAD 1.42349
13 5N53 8NB 1.53846
14 1V8B NAD 1.55844
15 1X87 NAD 1.55844
16 1E5Q NDP 1.55844
17 1PJS NAD 1.55844
18 1GQ2 NAP 1.55844
19 5X20 NAD 1.60256
20 3RC1 NAP 1.71429
21 3RC1 TLO 1.71429
22 5OCM NAP 1.71821
23 3BJE R1P 1.7192
24 3B1F NAD 1.72414
25 4ZVV GN0 1.80723
26 4ZVV NAD 1.80723
27 5NUF NAD 1.80723
28 5NUE NAD 1.80723
29 6C4T NA7 1.81818
30 3ICS ADP 1.81818
31 3ICT ADP 1.81818
32 2YVF NAD 1.81818
33 1UWK URO 1.81818
34 1UWK NAD 1.81818
35 2YVF FAD 1.81818
36 3CGD NAD 1.81818
37 3CGD FAD 1.81818
38 3CGD COA 1.81818
39 2O4C NAD 1.84211
40 1F8F NAD 1.88679
41 6F5W KG1 1.89702
42 1H2B NAJ 1.94986
43 3DAG FEG 1.95531
44 1PL6 572 1.96629
45 1PL6 NAD 1.96629
46 1X7D ORN 2
47 1VI2 NAD 2
48 1X7D NAD 2
49 1R37 NAD 2.01729
50 1GZ4 ATP 2.07792
51 1B8U NAD 2.07792
52 1MO9 KPC 2.07792
53 1MO9 FAD 2.07792
54 5MQ6 NDP 2.07792
55 2QA1 FAD 2.07792
56 4TQK NAG 2.07792
57 1NPD NAD 2.08333
58 2VHW NAI 2.12202
59 1E3I CXF 2.12766
60 2J0B UDP 2.14286
61 4CJX NAP 2.19436
62 4UP3 NDP 2.2293
63 1BW9 NAD 2.24719
64 1BXG NAD 2.24719
65 1C1X NAD 2.25352
66 1C1X HFA 2.25352
67 1HYH NAD 2.26537
68 2CDU ADP 2.33766
69 3SQP FAD 2.33766
70 3ULK NDP 2.33766
71 1OBB NAD 2.33766
72 3Q3C NAD 2.34114
73 1F8G NAD 2.34375
74 5OJL TXP 2.34899
75 1J5P NAD 2.37154
76 4YT4 FE9 2.4
77 1C3V NDP 2.44898
78 1GR0 NAD 2.45232
79 1OMO NAD 2.48447
80 5LD5 NAD 2.51397
81 2B5W NAP 2.52101
82 5O9F NAD 2.55682
83 5O9F 9ON 2.55682
84 1KEV NDP 2.5641
85 2Q0L NAP 2.57235
86 1DLJ NAI 2.5974
87 1DLJ UGA 2.5974
88 1UP7 NAD 2.5974
89 5G3U FDA 2.5974
90 4M52 FAD 2.5974
91 5VN0 NAI 2.5974
92 5G3U ITW 2.5974
93 3H9E NAD 2.60116
94 3WLE NAD 2.6393
95 1O6Z NAD 2.64026
96 4XDY NAI 2.66272
97 3V1Y NAD 2.67062
98 1DSS NAD 2.7027
99 1J0X NAD 2.71084
100 4PLT NAI 2.71903
101 4PLT OXM 2.71903
102 4EA7 JB2 2.72727
103 4EA7 COA 2.72727
104 1N1G BCP 2.73224
105 1YQZ FAD 2.73973
106 2HJR APR 2.7439
107 1NLM UD1 2.74725
108 3G89 SAM 2.81124
109 1LTH NAD 2.82132
110 1GET NAP 2.85714
111 2BGM NAJ 2.8777
112 4D3F NAP 2.90323
113 1GUZ NAD 2.90323
114 1GV0 NAD 2.90323
115 1UXG FUM 2.91262
116 1UXG NAD 2.91262
117 6BYF CIT 2.94118
118 5JE8 NAD 2.98013
119 1V6A TRE 3.01205
120 1T26 GBD 3.10559
121 1T26 NAI 3.10559
122 1V59 NAD 3.11688
123 3GD4 NAD 3.11688
124 1M2W NAD 3.11688
125 1LJ8 NAD 3.11688
126 4EDF UPG 3.11688
127 2IID PHE 3.11688
128 2IID FAD 3.11688
129 3PA8 621 3.14961
130 5UR0 NAD 3.15186
131 1ZQ9 SAM 3.15789
132 1LDN NAD 3.16456
133 6C4M NAP 3.16456
134 2DFV NAD 3.17003
135 1Q0H FOM 3.20197
136 1Q0H NDP 3.20197
137 1NVM NAD 3.20513
138 4BVA NDP 3.28358
139 4BVA T3 3.28358
140 4Z0H NAD 3.29341
141 1YJQ NAP 3.30033
142 9LDT NAD 3.31325
143 9LDB NAD 3.31325
144 5N6C NAD 3.33333
145 5Z21 NAI 3.35196
146 2IZ1 ATR 3.37662
147 2NVK NAP 3.37662
148 1MUU NAD 3.37662
149 2NU8 COA 3.37662
150 1LVL NAD 3.37662
151 4ZGS NAD 3.37662
152 1MV8 NAD 3.37662
153 1VJT NAD 3.37662
154 1WDK NAD 3.37662
155 5Z2F NAP 3.39623
156 1WP4 NDP 3.46021
157 1VM6 NAD 3.50877
158 1P1C SAH 3.51759
159 1LSS NAD 3.57143
160 6AM8 TRP 3.63636
161 2FZW NAD 3.63636
162 2GCG NDP 3.63636
163 1SC6 NAD 3.63636
164 5EES NAP 3.64372
165 2PV7 NAD 3.69128
166 5UAV TFB 3.72671
167 5UAV NDP 3.72671
168 6CEP NAD 3.89222
169 2IXB NAD 3.8961
170 2IXB A2G 3.8961
171 4XZ3 COA 3.91304
172 4XYM COA 3.91304
173 1CER NAD 3.92749
174 4B4U NAP 3.9604
175 3NGL NAP 3.98551
176 1P0F NAP 4.02145
177 5GSN NAP 4.15584
178 6ER9 FAD 4.15584
179 5TOW ADN 4.15584
180 5TOW NAI 4.15584
181 6ER9 NAP 4.15584
182 5Z20 NAI 4.15584
183 4JK3 NAD 4.15584
184 1NVT NAP 4.18118
185 1J49 NAD 4.2042
186 3HAD NAD 4.22078
187 4E13 NAD 4.24028
188 4RQU NAD 4.26667
189 2JHF NAD 4.27807
190 1U3U BNF 4.27807
191 1U3U NAD 4.27807
192 3WUC GLC GAL 4.37956
193 1P77 ATR 4.41176
194 3OND NAD 4.41558
195 3OND ADN 4.41558
196 2NPX NAD 4.41558
197 4J4H NAI 4.41558
198 4J4H 1J1 4.41558
199 1DJN ADP 4.41558
200 5U8U FAD 4.41558
201 1NYT NAP 4.42804
202 1CF2 NAP 4.45104
203 3VPH NAD 4.51613
204 3VPH OXM 4.51613
205 2AG8 NAP 4.56274
206 1Y8Q ATP 4.62428
207 4JJF FE9 4.65116
208 4JJF N2I 4.65116
209 1KOL NAD 4.67532
210 6F3N NAD 4.67532
211 6F3N ADN 4.67532
212 5CAE SIN 4.67532
213 5CAE COA 4.67532
214 6F3M NAD 4.67532
215 2B4R AES 4.67532
216 2B4R NAD 4.67532
217 6C4N NAP 4.67532
218 4D79 ATP 4.71014
219 1KYQ NAD 4.74453
220 1YS4 NAP 4.80226
221 4EMI NAD 4.87805
222 2RAB NAD 4.93506
223 1O0S NAI 4.93506
224 1ZGS XMM 4.93506
225 4YCA NDP 5.10204
226 2VYN NAD 5.13595
227 1GAD NAD 5.15152
228 1LLU NAD 5.26316
229 2D2I NAP 5.26316
230 4MP8 MLI 5.30973
231 4MP8 NAD 5.30973
232 5TC4 NAD 5.37975
233 2NXE SAM 5.51181
234 5LQ8 GB 5.67376
235 2F1K NAP 5.71429
236 2WPF FAD 5.71429
237 2WPF WPF 5.71429
238 1BZL GCG 5.71429
239 3B20 NAD 5.8997
240 4W6Z 8ID 6.05187
241 3QV1 NAD 6.09756
242 2YYY NAP 6.12245
243 3CIF NAD 6.12813
244 3CIF G3H 6.12813
245 5ZZ6 NAD 6.23377
246 1H16 DTL 6.23377
247 5ZZ6 ADP 6.23377
248 4ZCC FAD 6.25
249 4ZCC NAI 6.25
250 4MDH NAD 6.28743
251 5C9P FUC 6.29921
252 5MDH NAD 6.30631
253 3MCT SAH 6.39731
254 3H8V ATP 6.50685
255 4CQM NAP 6.55738
256 1O94 ADP 6.5625
257 1CCW TAR 6.56934
258 3KB6 NAD 6.58683
259 1HDG NAD 6.62651
260 1SAY PYR 6.6482
261 1CDO NAD 6.75325
262 1RJW ETF 6.78466
263 4OM8 NAD 6.79612
264 4YSX FAD 6.91489
265 5J5Z FAD 7.01299
266 5MIT FAD 7.01299
267 5MIT NAP 7.01299
268 5A1T NAI 7.03812
269 5A1T OXM 7.03812
270 3QPB R1P 7.0922
271 3Q9N COA 7.0922
272 2GMM MAN MAN 7.14286
273 4GKV NAD 7.14286
274 2GNB MAN 7.14286
275 2ZJ1 NAD 7.27273
276 2ZJ1 ARJ 7.27273
277 5T9E NAP 7.38007
278 2Q1S NAI 7.42706
279 3GFB NAD 7.42857
280 1D1T NAD 7.5067
281 4OOE NDP 7.53247
282 4OOE FOM 7.53247
283 1JAY NAP 8.01887
284 5M67 NAD 8.05195
285 5M67 ADE 8.05195
286 5M67 3D1 8.05195
287 1JNR FAD 8.05195
288 5N2I NAP 8.18966
289 1X14 NAD 8.31169
290 1DIG NAP 8.49673
291 1DIG L37 8.49673
292 1YQD NAP 8.57143
293 3HVJ 705 8.59729
294 4XQC NAD 8.83117
295 4XQC 13D 8.83117
296 3ETG NDP 8.83117
297 3ETG GLU 8.83117
298 1EQ2 NAP 8.83117
299 3ETG GTP 8.83117
300 2VT3 ATP 8.83721
301 3AYI HCI 9.09091
302 3AYI FAD 9.09091
303 1EZ4 NAD 9.43396
304 5A04 BGC 9.43953
305 5A04 NDP 9.43953
306 5BSH PRO 9.74729
307 4II2 ATP 9.81595
308 5TS5 FAD 9.87013
309 5L95 AMP 10
310 4L8V NAP 10.089
311 1REO FAD 10.1299
312 3S5W NAP 10.3896
313 2AOT SAH 10.6164
314 1VBO MAN 10.7383
315 2DT5 NAD 10.9005
316 3ABI NAD 10.9589
317 2YVJ NAI 11.0092
318 4XB2 NDP 11.1688
319 5YAP 8S0 11.3158
320 5YAP NAI 11.3158
321 2OOR NAD 11.4943
322 5YEC ATP 11.7647
323 4RDH AMP 11.8056
324 4RDI ATP 11.8056
325 2HMT NAI 11.8056
326 6AA8 NAD 11.9205
327 1UAY ADN 12.3967
328 4KOA NDP 12.9129
329 5AYV NAP 12.945
330 5AYV KPL 12.945
331 1RYD NDP 13.1783
332 1H6C NDP 13.2468
333 1H6C SIN 13.2468
334 2CDC XYP 13.6612
335 2CDC XYS 13.6612
336 2CDC NAP 13.6612
337 6C5F 7L9 13.6752
338 5GZ6 7C3 13.8037
339 5GZ6 NDP 13.8037
340 3ITJ CIT 14.2012
341 3GGO NAI 14.9682
342 3GGO ENO 14.9682
343 6A3J SOE 15.122
344 6A3J NAI 15.122
345 2GLX NDP 15.3614
346 5F7J ADE 15.625
347 5XVH NAP 15.6863
348 2HK9 ATR 16.6234
349 2HK9 NAP 16.6234
350 3WBF API 19.0164
351 3WBF NAP 19.0164
352 1QH9 LAC 19.3966
353 1ZH8 NAP 19.7059
Pocket No.: 3; Query (leader) PDB : 5KVS; Ligand: 6XR; Similar sites found with APoc: 23
This union binding pocket(no: 3) in the query (biounit: 5kvs.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 1LOJ URI None
2 1G0H IPD 1.19048
3 2CYB TYR 1.54799
4 2VVG ADP 2
5 3UCL NAP 2.07792
6 3LL5 IP8 2.40964
7 1LUA NAP 2.43902
8 2DC1 NAD 2.54237
9 4E5N NAD 2.72727
10 4CIB 7UZ 2.85714
11 2DBZ NAP 3.29341
12 4TQG NDP 3.40557
13 1F9V ADP 3.45821
14 5O2J 2PO 3.663
15 5OFW 9TW 4.4843
16 6BII NAP 4.5045
17 5JVB 2PO 4.64286
18 3BAZ NAP 6.60661
19 2WA2 SAM 7.24638
20 2NCD ADP 7.27273
21 2AHR NAP 11.1969
22 4YEE 4CQ 12.2222
23 2KIN ADP 15
Pocket No.: 4; Query (leader) PDB : 5KVS; Ligand: NAP; Similar sites found with APoc: 232
This union binding pocket(no: 4) in the query (biounit: 5kvs.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 2R4J 13P 1.2987
2 2R4J FAD 1.2987
3 5TTJ FAD 1.42857
4 2Q7V FAD 1.53846
5 5YSS NAD 1.5625
6 4REP FAD 1.81818
7 5KOX RFP 1.81818
8 5KOX FAD 1.81818
9 1TDF FAD 1.89873
10 1TDF NAP 1.89873
11 4YAG NAI 2.07612
12 5MBX SP5 2.07792
13 5MBX FAD 2.07792
14 2AQJ TRP 2.07792
15 2AQJ FAD 2.07792
16 2RGJ FAD 2.07792
17 2B9W FAD 2.07792
18 2ACV UDP 2.07792
19 4TQK NAG 2.07792
20 5MQ6 NDP 2.07792
21 3LZW FAD 2.10843
22 3LZW NAP 2.10843
23 1MXH DHF 2.17391
24 1MXH NAP 2.17391
25 2YY7 NAD 2.24359
26 2GDZ NAD 2.24719
27 1W8D NAP 2.31788
28 1W73 NAP 2.31788
29 1W6U NAP 2.31788
30 3SQP FAD 2.33766
31 2CDU FAD 2.33766
32 1XKQ NDP 2.33766
33 6FHO FAD 2.33766
34 2DKH 3HB 2.33766
35 5BRT CH9 2.33766
36 5BRT FAD 2.33766
37 4BJZ FAD 2.33766
38 4BJZ P3A 2.33766
39 3Q3C NAD 2.34114
40 4Q9N NAI 2.34899
41 4NTD FAD 2.35294
42 1LUA NAP 2.43902
43 3AB1 FAD 2.5
44 2Q0L FAD 2.57235
45 6F97 FAD 2.5974
46 4YKG NAD 2.5974
47 5VN0 NAI 2.5974
48 5VN0 FAD 2.5974
49 1Q9I TEO 2.5974
50 1Q9I FAD 2.5974
51 4YKG FAD 2.5974
52 4CNK FAD 2.5974
53 2VZ0 NAP 2.61194
54 2VZ0 D64 2.61194
55 2WD7 NAP 2.61194
56 1RYI FAD 2.6178
57 1RYI GOA 2.6178
58 1ZEM NAD 2.67176
59 3OZ2 FAD 2.77078
60 1G0N PHH 2.82686
61 2JAH NDP 2.83401
62 1GET NAP 2.85714
63 1GET FAD 2.85714
64 5EOW FAD 2.85714
65 3QVP FAD 2.85714
66 3E1T FAD