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Receptor
PDB id Resolution Class Description Source Keywords
4KQW 1.39 Å EC: 1.1.1.86 THE STRUCTURE OF THE SLACKIA EXIGUA KARI IN COMPLEX WITH NAD SLACKIA EXIGUA ROSSMANN FOLD KETOL-ACID REDUCTOISOMERASE ACETOHYDROXYACIDISOMEROREDUCTASE OXIDOREDUCTASE
Ref.: GENERAL APPROACH TO REVERSING KETOL-ACID REDUCTOISO COFACTOR DEPENDENCE FROM NADPH TO NADH. PROC.NATL.ACAD.SCI.USA V. 110 10946 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:404;
B:405;
A:405;
B:404;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
NAP A:401;
B:402;
Valid;
Valid;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
TLA B:403;
A:403;
B:401;
A:402;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
150.087 C4 H6 O6 [C@@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KQW 1.39 Å EC: 1.1.1.86 THE STRUCTURE OF THE SLACKIA EXIGUA KARI IN COMPLEX WITH NAD SLACKIA EXIGUA ROSSMANN FOLD KETOL-ACID REDUCTOISOMERASE ACETOHYDROXYACIDISOMEROREDUCTASE OXIDOREDUCTASE
Ref.: GENERAL APPROACH TO REVERSING KETOL-ACID REDUCTOISO COFACTOR DEPENDENCE FROM NADPH TO NADH. PROC.NATL.ACAD.SCI.USA V. 110 10946 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4KQX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 4KQW - 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 7 families.
1 4KQX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 4KQW - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4XDY - HIO C5 H9 N O4 CC(C)N(C(=....
2 6AQJ - HIO C5 H9 N O4 CC(C)N(C(=....
3 5W3K Ki = 2.73 uM 9TY C5 H6 O4 C1CC1(C(=O....
4 5E4R - 40E C5 H9 N O3 CC(C)NC(=O....
5 4XDZ - 40E C5 H9 N O3 CC(C)NC(=O....
6 4KQX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 4KQW - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 4TSK - NDP C21 H30 N7 O17 P3 c1nc(c2c(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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4KQW; Ligand: NAP; Similar sites found with APoc: 442
This union binding pocket(no: 1) in the query (biounit: 4kqw.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 3TY5 ATP 1.14286
2 4MP8 NAD 1.17994
3 4MP8 MLI 1.17994
4 3OA2 NAD 1.25786
5 2X7I CIT 1.2987
6 1CDO NAD 1.42857
7 1RM0 NAI 1.42857
8 1RM0 D6P 1.42857
9 4GKV NAD 1.4881
10 1BW9 NAD 1.71429
11 1C1X NAD 1.71429
12 5TOW ADN 1.71429
13 5TOW NAI 1.71429
14 1D1T NAD 1.71429
15 2AQJ FAD 1.71429
16 2AQJ TRP 1.71429
17 2B5W NAP 1.71429
18 1BXG NAD 1.71429
19 1LJ8 NAD 1.71429
20 1M2W NAD 1.71429
21 5BVA FAD 1.71429
22 3WLE NAD 1.75953
23 1SOW NAD 1.82927
24 5X20 NAD 1.92308
25 3HAD NAD 1.94805
26 3CGD FAD 2
27 3CGD COA 2
28 3CGD NAD 2
29 4XQC 13D 2
30 4XQC NAD 2
31 2WPF WPF 2
32 2WPF FAD 2
33 2I3G NAP 2
34 1E3I CXF 2
35 3SQP FAD 2
36 1KJ8 GAR 2
37 1VBH PEP 2
38 4HNN LYS 2.02312
39 4RDH AMP 2.08333
40 4RDI ATP 2.08333
41 6CEP NAD 2.09581
42 6CEP OXM 2.09581
43 4ZVV NAD 2.10843
44 9LDB NAD 2.10843
45 4ZVV GN0 2.10843
46 6A0S HSE 2.10843
47 6A0S NDP 2.10843
48 9LDT NAD 2.10843
49 1V6A TRE 2.10843
50 4D79 ATP 2.17391
51 1LTH NAD 2.19436
52 4YEE 4CQ 2.22222
53 2AG8 NAP 2.28137
54 5U8U FAD 2.28571
55 3UN3 G16 2.28571
56 1H82 GZZ 2.28571
57 4OOE FOM 2.28571
58 1H82 FAD 2.28571
59 4OOE NDP 2.28571
60 4YKG NAD 2.28571
61 2B4R AES 2.31884
62 2B4R NAD 2.31884
63 1ZH8 NAP 2.35294
64 3V1Y NAD 2.37389
65 3L4S NAD 2.38095
66 3L4S 3PG 2.38095
67 4ZNO SUC 2.38806
68 3KB6 NAD 2.39521
69 3H8V ATP 2.39726
70 1DSS NAD 2.4024
71 5XQL C2E 2.4055
72 1YQD NAP 2.45902
73 5VKT NAP 2.48619
74 4CJX NAP 2.50784
75 4UP3 NDP 2.54777
76 2GBB CIT 2.5641
77 3T31 FAD 2.57143
78 3T31 DCQ 2.57143
79 2RAB NAD 2.57143
80 5KVS NAP 2.57143
81 1BZL GCG 2.57143
82 1BZL FAD 2.57143
83 2RAB FAD 2.57143
84 1GR0 NAD 2.57143
85 1XKV ATP 2.57143
86 1RSG FAD 2.57143
87 1P77 ATR 2.57353
88 3CMC NAD 2.69461
89 1GAD NAD 2.72727
90 2CVZ NDP 2.76817
91 1WP4 NDP 2.76817
92 5O9F 9ON 2.84091
93 5O9F NAD 2.84091
94 2CDU ADP 2.85714
95 5LD5 NAD 2.85714
96 5H81 NAP 2.85714
97 3DKP ADP 2.85714
98 6MFL OPV 2.85714
99 2GV8 NDP 2.85714
100 1P0F NAP 2.85714
101 5CAE SIN 2.85714
102 1LFW AEP 2.85714
103 5CAE COA 2.85714
104 5ZI2 NAD 2.89855
105 5ZI2 ADP 2.89855
106 1YJQ NAP 2.9703
107 5D4V SAH 2.98507
108 5NM7 GLY 3.00752
109 1QG6 NAD 3.06513
110 1QG6 TCL 3.06513
111 1H5R THM 3.07167
112 1H5S TMP 3.07167
113 4J4H NAI 3.0888
114 4J4H 1J1 3.0888
115 4JK3 NAD 3.0888
116 2AHR NAP 3.0888
117 1EBF NAD 3.14286
118 5KMS NAD 3.14286
119 4ZGS NAD 3.14286
120 5J5Z FAD 3.14286
121 5YAP NAI 3.14286
122 1SC6 NAD 3.14286
123 4NOS H4B 3.14286
124 4NOS H2B 3.14286
125 5YAP 8S0 3.14286
126 4OPC PGT 3.14286
127 5UR0 NAD 3.15186
128 1M0S CIT 3.19635
129 5A96 GTP 3.21285
130 4OM8 NAD 3.23625
131 5EES NAP 3.23887
132 3BAZ NAP 3.3033
133 2GWH PCI 3.3557
134 3ICT ADP 3.42857
135 3ICS ADP 3.42857
136 1PJS NAD 3.42857
137 1YS4 NAP 3.42857
138 3K5I AIR 3.42857
139 1O0S NAI 3.42857
140 5VN0 NAI 3.42857
141 6ER9 FAD 3.42857
142 6ER9 NAP 3.42857
143 2O4C NAD 3.42857
144 1V59 NAD 3.42857
145 1V59 FAD 3.42857
146 1YY5 FAD 3.42857
147 1YKJ FAD 3.42857
148 1YKJ PHB 3.42857
149 4D04 NAP 3.42857
150 4D04 FAD 3.42857
151 1PS9 NAP 3.42857
152 1NVT NAP 3.48432
153 5A1T OXM 3.51906
154 5A1T NAI 3.51906
155 1HDG NAD 3.61446
156 5OJL TXP 3.69128
157 3C7A NAD 3.71287
158 5NUE NAD 3.71429
159 3GL0 HXX 3.72493
160 4W6Z 8ID 3.7464
161 1LUA NAP 3.83275
162 2Q0L NAP 3.85852
163 2Q0L FAD 3.85852
164 4USI AKG 3.8961
165 1LDM NAD 3.95137
166 1VI2 NAD 4
167 2IXB A2G 4
168 1DJN ADP 4
169 6C4T NA7 4
170 6A3J NAI 4
171 1O94 ADP 4
172 1RYD NDP 4
173 1H6C SIN 4
174 2IXB NAD 4
175 6A3J SOE 4
176 3B1F NAD 4
177 2WET FAD 4
178 1H6C NDP 4
179 3OJO NAD 4
180 1KEV NDP 4
181 2Z3Y F2N 4
182 1LC3 NAD 4.08163
183 1LLU NAD 4.09357
184 5Z2F NAP 4.15094
185 1NPD NAD 4.16667
186 1P72 THM 4.19162
187 2VYN NAD 4.19162
188 1CER NAD 4.22961
189 3BY9 SIN 4.23077
190 2IZ1 ATR 4.28571
191 2GZ3 NAP 4.28571
192 1Q19 SSC 4.28571
193 2FZW NAD 4.28571
194 1YKF NAP 4.28571
195 2NVK FAD 4.28571
196 2NVK NAP 4.28571
197 4EDF UPG 4.28571
198 1MO9 FAD 4.28571
199 4DPL NAP 4.28571
200 3QFA FAD 4.28571
201 1MO9 KPC 4.28571
202 4B4U NAP 4.29043
203 5N6C NAD 4.33333
204 3H9E NAD 4.33526
205 1A5Z NAD 4.38871
206 4YCA NDP 4.42177
207 1NE7 AGP 4.49827
208 1GUZ NAD 4.51613
209 3VPH NAD 4.51613
210 1GV0 NAD 4.51613
211 1EQ2 ADQ 4.51613
212 3VPH OXM 4.51613
213 1J0X NAD 4.51807
214 2GLX NDP 4.51807
215 1ZQ9 SAM 4.5614
216 1O8B ABF 4.56621
217 3GFB NAD 4.57143
218 5JCM NAD 4.57143
219 4EMI NAD 4.57143
220 5JCM ISD 4.57143
221 5JCM FAD 4.57143
222 4XZ3 COA 4.57143
223 6C4N NAP 4.57143
224 1HKU NAD 4.57143
225 4XZ3 ACP 4.57143
226 2Y7P SAL 4.58716
227 1O6Z NAD 4.62046
228 3I6I NDP 4.62428
229 5OVK NDP 4.6875
230 2DT5 NAD 4.73934
231 5CIC 51R 4.7619
232 4Z0H NAD 4.79042
233 1SQL GUN 4.79452
234 1J49 NAD 4.8048
235 4PLT OXM 4.83384
236 4PLT NAI 4.83384
237 1HYH NAD 4.85437
238 4RQU NAD 4.85714
239 1Y8Q ATP 4.85714
240 4JDR FAD 4.85714
241 1FEC FAD 4.85714
242 2WPB ZZI 4.85714
243 3QV1 NAD 4.87805
244 1OMO NAD 4.96894
245 2A92 NAI 4.98442
246 2QZZ EMF 5.03145
247 2QZZ NAP 5.03145
248 5FI3 NAP 5.04202
249 2HK9 ATR 5.09091
250 2HK9 NAP 5.09091
251 6F3N ADN 5.14286
252 6F3N NAD 5.14286
253 6C4M NAP 5.14286
254 3S5W NAP 5.14286
255 6F3M NAD 5.14286
256 5MQ6 NDP 5.14286
257 3ABI NAD 5.14286
258 4YT4 FE9 5.14286
259 4E5N NAD 5.15152
260 1JAY NAP 5.18868
261 5CG1 NAD BBN 5.2459
262 4E13 NAD 5.30035
263 6BGC BGC 5.42857
264 4KOA NDP 5.42857
265 3WV8 ATP 5.50459
266 5Z20 NAI 5.50725
267 5T9E NAP 5.53506
268 2JHF NAD 5.71429
269 1H2B NAJ 5.71429
270 3GD4 NAD 5.71429
271 5NMX NAP 5.71429
272 1KOL NAD 5.71429
273 4FWE FAD 5.71429
274 2HQM FAD 5.71429
275 1UWK NAD 5.71429
276 1UWK URO 5.71429
277 5U5N NAD 5.73477
278 2VAR AMP 5.7508
279 4PX9 ADP 5.82192
280 5T9F TYR 5.90406
281 5T9F NAP 5.90406
282 4YMU ARG 5.90909
283 2RI1 GLP 5.95745
284 6D5J FV4 5.98802
285 1PL6 NAD 6
286 1PL6 572 6
287 2DFV NAD 6.05187
288 2HJR APR 6.09756
289 4MLN ODV 6.12245
290 4CQM NAP 6.13027
291 3IUY AMP 6.14035
292 5AYV KPL 6.14887
293 5AYV NAP 6.14887
294 3C1O NAP 6.23053
295 2NPX NAD 6.28571
296 6FP4 E1T 6.28571
297 6AM8 TRP 6.28571
298 2DC1 NAD 6.35593
299 3N26 ARG 6.50407
300 3JUC PCA 6.53595
301 2CDC XYS 6.57143
302 2CDC NAP 6.57143
303 2CDC XYP 6.57143
304 1V8B NAD 6.57143
305 1N1G BCP 6.57143
306 1F8G NAD 6.57143
307 1EZ4 NAD 6.60377
308 5YEC ATP 6.72269
309 1I36 NAP 6.81818
310 4R5M NAP 6.85714
311 3FWN ATR 6.85714
312 1LVL NAD 6.85714
313 2VHW NAI 6.85714
314 1NYT NAP 7.01107
315 1KYQ NAD 7.14286
316 4WS6 WBU 7.14286
317 3CIF NAD 7.14286
318 1U3U BNF 7.14286
319 1U3U NAD 7.14286
320 3CIF G3H 7.14286
321 1WPQ NAD 7.16332
322 3MMH SME 7.18563
323 3CTY FAD 7.21003
324 2D2I NAP 7.36842
325 1G8S MET 7.3913
326 3A06 NDP 7.42857
327 5HV7 RBL 7.42857
328 2Z49 AMG 7.42857
329 2Z48 A2G 7.42857
330 4M52 FAD 7.42857
331 5GSN NAP 7.42857
332 2XVE FAD 7.42857
333 4M52 M52 7.42857
334 1RV0 NDG 7.5
335 4DDY DN6 7.60456
336 1NVM NAD 7.69231
337 1X87 NAD 7.71429
338 1XHC FAD 7.71429
339 2F5Z FAD 7.8125
340 1LSS NAD 7.85714
341 3BP1 GUN 7.93103
342 1MV8 NAD 8
343 1MUU NAD 8
344 1WDK NAD 8
345 1GET NAP 8
346 2PK3 A2R 8.09969
347 4JBI NDP 8.10811
348 5U5G NAP 8.13559
349 3B1J NAD 8.25959
350 3B20 NAD 8.25959
351 3OND ADN 8.28571
352 3OND NAD 8.28571
353 5X9D 80F 8.55263
354 1RM4 NDP 8.60534
355 5BSH PRO 8.66426
356 3JQ7 DX2 8.68056
357 1J5P NAD 8.69565
358 5L95 AMP 8.75
359 1GXU 2HP 8.79121
360 5GZ6 NDP 8.89571
361 5GZ6 7C3 8.89571
362 1FWV SGA MAG FUC 8.95522
363 2DBZ NAP 8.98204
364 5M67 NAD 9.14286
365 3NJ4 NAD 9.14286
366 3NJ4 AFX 9.14286
367 5M67 ADE 9.14286
368 5M67 3D1 9.14286
369 4L8V NAP 9.19881
370 3GGO NAI 9.55414
371 3GGO ENO 9.55414
372 6BII NAP 9.60961
373 3TWO NDP 9.77011
374 4II2 ATP 9.81595
375 5OCM NAP 9.96564
376 5AOV NAP 10.119
377 2VOH CIT 10.1911
378 3L9W AMP 10.2857
379 3RC1 NAP 10.2857
380 3RC1 TLO 10.2857
381 1F06 NDP 10.3125
382 1F06 2NP 10.3125
383 2F1K NAP 10.3943
384 2YVJ NAI 10.5714
385 2YVF NAD 10.5714
386 2YVF FAD 10.5714
387 2G5C NAD 10.6762
388 2NU8 COA 10.7639
389 3Q3C NAD 11.0368
390 1TLG GAL 11.2
391 4GUS FAD 11.2903
392 4HSU FAD 11.2903
393 4GUT FAD 11.2903
394 4WCX ALA 11.4286
395 5Z21 NAI 11.4286
396 5JE8 NAD 11.5894
397 2HMT NAI 11.8056
398 5XVH NAP 12.0915
399 5ODQ FAD 12.1429
400 5A04 BGC 12.3894
401 5A04 NDP 12.3894
402 4BVA NDP 12.5373
403 2EV9 NAP 12.5475
404 2EV9 SKM 12.5475
405 2VT3 ATP 12.5581
406 5MIT NAP 12.844
407 5MIT FAD 12.844
408 2OOR NAD 12.8571
409 5UAV TFB 13.0435
410 5UAV NDP 13.0435
411 3WBF API 13.1148
412 3WBF NAP 13.1148
413 4KP7 1UQ 13.1429
414 4KP7 NAP 13.1429
415 5Y8L NAD 13.2203
416 5Y8L HUI 13.2203
417 6AA8 NAD 13.5762
418 1CF2 NAP 13.6499
419 2ZJ1 ARJ 13.7143
420 2ZJ1 NAD 13.7143
421 2IMG MLT 13.9073
422 1DLJ NAI 14.2857
423 1DLJ UGA 14.2857
424 2PV7 NAD 14.7651
425 4XB2 NDP 15.1429
426 1E5Q NDP 15.1429
427 4XB2 HSE 15.1429
428 4D3F NAP 15.1613
429 1LDN NAD 15.5063
430 5N2I NAP 15.5172
431 1Z82 NDP 16.4179
432 2YYY NAP 16.6181
433 3RNM FAD 17.2414
434 1TUK PGM 17.9104
435 5EIN NAP 20.3704
436 3DAG FEG 22.5714
437 4JJF N2I 24.1279
438 4JJF FE9 24.1279
439 1UXG FUM 24.5955
440 1UXG NAD 24.5955
441 5ZZ6 NAD 25.9615
442 5ZZ6 ADP 25.9615
Pocket No.: 2; Query (leader) PDB : 4KQW; Ligand: NAP; Similar sites found with APoc: 20
This union binding pocket(no: 2) in the query (biounit: 4kqw.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 3KPB SAM None
2 1KNY APC 1.97628
3 4Y9D NAI 2.29508
4 1X7D NAD 2.57143
5 3UOY NAP 2.85714
6 3UOY FAD 2.85714
7 3O9Z AKG 2.88462
8 3O9Z NAD 2.88462
9 3LAD FAD 3.14286
10 2NAD NAD 3.14286
11 3UCL FAD 3.42857
12 3UCL CYH 3.42857
13 3O5N BR0 3.57143
14 2C29 NAP 3.85757
15 5ZXD ATP 4.28571
16 2AAZ UMP 4.4164
17 1NCE UMP 5.14286
18 2WLT ASP 5.42169
19 5MBX FAD 5.71429
20 5MBX SP5 5.71429
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