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Receptor
PDB id Resolution Class Description Source Keywords
3WBF 2.12 Å EC: 1.4.1.16 CRYSTAL STRUCTURE OF MESO-DIAMINOPIMELATE DEHYDROGENASE FROM SYMBIOBACTERIUM THERMOPHILUM CO-CRYSTALLIZED WITH NADP+ AND SYMBIOBACTERIUM THERMOPHILUM DOMAIN MOTION THERMO-STABLE D-AMINO ACID DEHYDROGENASE OXIDOREDUCTASE
Ref.: STRUCTURAL AND MUTATIONAL STUDIES ON THE UNUSUAL SU SPECIFICITY OF MESO-DIAMINOPIMELATE DEHYDROGENASE F SYMBIOBACTERIUM THERMOPHILUM. CHEMBIOCHEM V. 15 217 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:302;
B:305;
A:304;
A:307;
A:303;
C:304;
B:302;
C:305;
A:305;
B:303;
B:304;
A:306;
C:302;
C:303;
C:307;
C:306;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
API B:301;
A:301;
C:301;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
190.197 C7 H14 N2 O4 C(C[C...
NAP C:308;
A:308;
B:306;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WBF 2.12 Å EC: 1.4.1.16 CRYSTAL STRUCTURE OF MESO-DIAMINOPIMELATE DEHYDROGENASE FROM SYMBIOBACTERIUM THERMOPHILUM CO-CRYSTALLIZED WITH NADP+ AND SYMBIOBACTERIUM THERMOPHILUM DOMAIN MOTION THERMO-STABLE D-AMINO ACID DEHYDROGENASE OXIDOREDUCTASE
Ref.: STRUCTURAL AND MUTATIONAL STUDIES ON THE UNUSUAL SU SPECIFICITY OF MESO-DIAMINOPIMELATE DEHYDROGENASE F SYMBIOBACTERIUM THERMOPHILUM. CHEMBIOCHEM V. 15 217 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3WBB - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 3WBF - API C7 H14 N2 O4 C(C[C@H](C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3WBB - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 3WBF - API C7 H14 N2 O4 C(C[C@H](C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3WBB - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 3WBF - API C7 H14 N2 O4 C(C[C@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: API; Similar ligands found: 58
No: Ligand ECFP6 Tc MDL keys Tc
1 API 1 1
2 6CL 0.655172 0.961538
3 ORN 0.653846 0.785714
4 NLE 0.62963 0.724138
5 UN1 0.607143 0.923077
6 DLY 0.607143 0.758621
7 11C 0.607143 0.923077
8 LYS 0.586207 0.733333
9 DHH 0.586207 0.821429
10 2JJ 0.566667 0.631579
11 NPI 0.566667 0.888889
12 ONH 0.566667 0.638889
13 5OY 0.566667 0.631579
14 DAB 0.56 0.7
15 HSE 0.56 0.677419
16 26P 0.548387 0.827586
17 HCS 0.538462 0.689655
18 NVA 0.538462 0.714286
19 CIR 0.53125 0.685714
20 MLZ 0.515152 0.611111
21 ARG 0.515152 0.611111
22 2NP 0.515152 0.75
23 DAR 0.515152 0.611111
24 GLU 0.5 0.884615
25 DBB 0.5 0.666667
26 GGL 0.5 0.884615
27 EXY 0.5 0.611111
28 DSN 0.5 0.633333
29 GLN 0.5 0.793103
30 ABA 0.5 0.666667
31 SER 0.5 0.633333
32 2RA 0.5 0.612903
33 DGN 0.5 0.793103
34 DGL 0.5 0.884615
35 DCY 0.48 0.62069
36 C2N 0.48 0.642857
37 CYS 0.48 0.62069
38 HRG 0.472222 0.611111
39 ILO 0.472222 0.611111
40 ALY 0.472222 0.685714
41 ONL 0.466667 0.733333
42 ASN 0.461538 0.65625
43 DAS 0.461538 0.75
44 ASP 0.461538 0.75
45 NOT 0.459459 0.611111
46 2FM 0.454545 0.625
47 MET 0.451613 0.606061
48 MED 0.451613 0.606061
49 4JK 0.447368 0.621622
50 WT2 0.435897 0.727273
51 LEU 0.428571 0.62069
52 AS2 0.428571 0.740741
53 HGA 0.424242 0.648649
54 REZ 0.414634 0.757576
55 2YH 0.414634 0.705882
56 MEQ 0.411765 0.69697
57 5CT 0.404762 0.638889
58 MF3 0.4 0.606061
Ligand no: 2; 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 : 3WBF; Ligand: API; Similar sites found with APoc: 777
This union binding pocket(no: 1) in the query (biounit: 3wbf.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 1KYQ NAD None
2 1YS4 NAP 0.983607
3 5BJX NAD 0.983607
4 5BJX UDP 0.983607
5 3K5I AIR 1.63934
6 2GLX NDP 1.63934
7 4KOA NDP 1.63934
8 2QRK AMP 1.63934
9 4CNK FAD 1.63934
10 3GDN HBX 1.63934
11 2Q1S NAI 1.63934
12 5JWC FAD 1.63934
13 6EL3 NAP 1.63934
14 3GDN FAD 1.63934
15 1RPN NDP 1.63934
16 2J83 BAT 1.9084
17 1U3U NAD 1.96721
18 1U3U BNF 1.96721
19 4D3F NAP 1.96721
20 2GCG NDP 1.96721
21 1LTH NAD 1.96721
22 1X7D ORN 1.96721
23 3OJO NAD 1.96721
24 1YQD NAP 1.96721
25 3UOY NAP 1.96721
26 3UOY FAD 1.96721
27 3UCL NAP 1.96721
28 3UCL CYH 1.96721
29 3UCL FAD 1.96721
30 1V59 NAD 1.96721
31 1X7D NAD 1.96721
32 5ZYN FAD 1.96721
33 1Q9I FAD 1.96721
34 1Q9I TEO 1.96721
35 1Q0H NDP 1.96721
36 1Q0H FOM 1.96721
37 1V59 FAD 1.96721
38 4YNU LGC 1.96721
39 4YNU FAD 1.96721
40 2GCG DGY 1.96721
41 1N1G BCP 1.96721
42 3WMX NAD 1.96721
43 6AM8 TRP 1.96721
44 1I2B NAD 1.96721
45 1I2B USQ 1.96721
46 1I2B UPG 1.96721
47 3JYN NDP 1.96721
48 1KGZ PRP 1.96721
49 3GF4 UPG 2.05128
50 3GF4 FAD 2.05128
51 1LUA NAP 2.09059
52 1ZK7 FAD 2.14133
53 3TWO NDP 2.29508
54 1J49 NAD 2.29508
55 2CDC XYS 2.29508
56 2CDC XYP 2.29508
57 5FI3 NAP 2.29508
58 5U8U FAD 2.29508
59 2IID FAD 2.29508
60 2IID PHE 2.29508
61 4JDR FAD 2.29508
62 5TS5 FAD 2.29508
63 4XYB NDP 2.29508
64 1PN0 FAD 2.29508
65 1PN0 IPH 2.29508
66 1BZL FAD 2.29508
67 1BZL GCG 2.29508
68 2CDC NAP 2.29508
69 2YG3 FAD 2.29508
70 3QVP FAD 2.29508
71 4Y1B NAP 2.29508
72 5HSA FAS 2.29508
73 2QZZ NAP 2.29508
74 4TM3 FAD 2.29508
75 4CJX NAP 2.29508
76 2QZZ EMF 2.29508
77 4M52 FAD 2.29508
78 1SOW NAD 2.29508
79 4M52 M52 2.29508
80 2A92 NAI 2.29508
81 2A8X FAD 2.29508
82 5EZ7 FAD 2.29508
83 3GMB FAD 2.29508
84 5HXI 5HN 2.29508
85 5HXI FAD 2.29508
86 1OC2 TDX 2.29508
87 1OC2 NAD 2.29508
88 5K4W THR 2.29508
89 4NTC FAD 2.29508
90 4MO2 FAD 2.29508
91 4MO2 FDA 2.29508
92 1VKO NAD 2.29508
93 1YJQ NAP 2.31023
94 5A96 GTP 2.40964
95 3C7A NAD 2.47525
96 5J60 FAD 2.5
97 2HK9 NAP 2.54545
98 2HK9 ATR 2.54545
99 4USI AKG 2.5974
100 5NXX 3Q7 2.61194
101 3ICT ADP 2.62295
102 3ICS ADP 2.62295
103 5Z20 NAI 2.62295
104 4XDY NAI 2.62295
105 2NPX NAD 2.62295
106 2HJR APR 2.62295
107 3C1O NAP 2.62295
108 5XVH NAP 2.62295
109 4MIG G3F 2.62295
110 3CIF NAD 2.62295
111 5X20 NAD 2.62295
112 1WPQ NAD 2.62295
113 3T31 FAD 2.62295
114 3T31 DCQ 2.62295
115 5MZI FYK 2.62295
116 5MZI FAD 2.62295
117 3A06 NDP 2.62295
118 2CVQ NDP 2.62295
119 2Q7V FAD 2.62295
120 1C0I BE2 2.62295
121 1C0I FAD 2.62295
122 3ICT FAD 2.62295
123 5KOX RFP 2.62295
124 5G3U FDA 2.62295
125 5KOX FAD 2.62295
126 3A06 FOM 2.62295
127 3QJ4 FAD 2.62295
128 4YT4 FE9 2.62295
129 5MQ6 NDP 2.62295
130 5TWB FAD 2.62295
131 5Y77 FAD 2.62295
132 3CIF G3H 2.62295
133 1T26 GBD 2.62295
134 1T26 NAI 2.62295
135 1TDF NAP 2.62295
136 1TDF FAD 2.62295
137 4Y9D NAI 2.62295
138 5G3U ITW 2.62295
139 5N0J FAD 2.62295
140 1DJN ADP 2.62295
141 2NPX FAD 2.62295
142 3ICS FAD 2.62295
143 3ICR FAD 2.62295
144 2Q1W NAD 2.62295
145 5MDH NAD 2.62295
146 1N9G NAP 2.62295
147 4MDH NAD 2.62295
148 2WVZ KIF 2.62295
149 5JE8 NAD 2.64901
150 2AG8 NAP 2.6616
151 5ZI9 FLC 2.69231
152 3BP1 GUN 2.75862
153 1ZQ9 SAM 2.80702
154 2CI5 HCS 2.8169
155 1JAY NAP 2.83019
156 5DQY BEZ 2.85714
157 6C4T NA7 2.88889
158 4JJF FE9 2.90698
159 4BVA NDP 2.95082
160 3WLE NAD 2.95082
161 3HAD NAD 2.95082
162 1OMO NAD 2.95082
163 1HYH NAD 2.95082
164 1QMG APX 2.95082
165 1KJ8 GAR 2.95082
166 5JCM NAD 2.95082
167 5JCM ISD 2.95082
168 5JCM FAD 2.95082
169 1LDN NAD 2.95082
170 1V8B NAD 2.95082
171 3AYI HCI 2.95082
172 3AYI FAD 2.95082
173 4FWE FAD 2.95082
174 4AP3 NAP 2.95082
175 4AP3 FAD 2.95082
176 3WGT FAD 2.95082
177 1O0S NAI 2.95082
178 4EDF UPG 2.95082
179 3WGT QSC 2.95082
180 2WET FAD 2.95082
181 5BUK FAD 2.95082
182 5TTJ FAD 2.95082
183 1YQZ FAD 2.95082
184 2PK3 A2R 2.95082
185 5BRT CH9 2.95082
186 3LXD FAD 2.95082
187 1NAA ABL 2.95082
188 5BRT FAD 2.95082
189 1LJ8 NAD 2.95082
190 4BVA T3 2.95082
191 4Z24 FAD 2.95082
192 6GAR FAD 2.95082
193 4AT0 FAD 2.95082
194 1M2W NAD 2.95082
195 1NAA 6FA 2.95082
196 1I8T FAD 2.95082
197 3L9W AMP 2.95082
198 1Q19 SSC 2.95082
199 3F8D FAD 2.95082
200 4RVU NDP 2.95082
201 4JNA FAD 2.95082
202 1QXA GLY GLY GLY 2.97872
203 2AHR NAP 3.0888
204 2P3V SRT 3.125
205 1ORR NAD 3.17003
206 4D42 W0I 3.19149
207 4D42 NAP 3.19149
208 4GUT FAD 3.22581
209 4HSU FAD 3.22581
210 4GUS FAD 3.22581
211 2IZ1 ATR 3.27869
212 5W3K NDP 3.27869
213 5W3K 9TY 3.27869
214 2O4C NAD 3.27869
215 1SC6 NAD 3.27869
216 2B5W NAP 3.27869
217 5YAP NAI 3.27869
218 5YAP 8S0 3.27869
219 5TOW ADN 3.27869
220 5TOW NAI 3.27869
221 4L8V NAP 3.27869
222 1XHC FAD 3.27869
223 4X9M FAD 3.27869
224 1CER NAD 3.27869
225 1PS9 NAP 3.27869
226 5MBX SP5 3.27869
227 5MBX FAD 3.27869
228 6FHO FAD 3.27869
229 5TC4 NAD 3.27869
230 2NAD NAD 3.27869
231 3AXB PRO 3.27869
232 3AXB FAD 3.27869
233 2Y6Q I7T 3.27869
234 3OA2 NAD 3.27869
235 3LAD FAD 3.27869
236 2R4J 13P 3.27869
237 2R4J FAD 3.27869
238 5EOW FAD 3.27869
239 2Y6Q FAD 3.27869
240 5MLR NAP 3.27869
241 3FG2 FAD 3.27869
242 3OZ2 FAD 3.27869
243 5MLR GRQ 3.27869
244 3FWN ATR 3.27869
245 1PS9 FAD 3.27869
246 3NTD FAD 3.27869
247 5YB7 FAD 3.27869
248 3NT6 FAD 3.27869
249 5YB7 ORN 3.27869
250 4G5H UD7 3.27869
251 4G5H NAP 3.27869
252 3NTA FAD 3.27869
253 2PZM NAD 3.27869
254 2PZM UDP 3.27869
255 4PIV NDP 3.27869
256 2RGJ FAD 3.27869
257 5Z49 RUB 3.34728
258 5OJL TXP 3.3557
259 1H74 ILE 3.37838
260 2YN4 39J 3.38983
261 5O9F 9ON 3.40909
262 5O9F NAD 3.40909
263 1I36 NAP 3.40909
264 2EV9 NAP 3.42205
265 2EV9 SKM 3.42205
266 5AIP 4HP 3.42466
267 3RNM FAD 3.44828
268 2NU8 COA 3.47222
269 3JQ8 DX3 3.47222
270 1HYE NAP 3.51438
271 1RP0 AHZ 3.52113
272 3GFB NAD 3.60656
273 3CGD FAD 3.60656
274 3CGD COA 3.60656
275 3CGD NAD 3.60656
276 5Z21 NAI 3.60656
277 1YKF NAP 3.60656
278 5VKT NAP 3.60656
279 4MOP 2H5 3.60656
280 1YKJ PHB 3.60656
281 1YKJ FAD 3.60656
282 6C4M NAP 3.60656
283 2AQJ FAD 3.60656
284 2AQJ TRP 3.60656
285 1GET NAP 3.60656
286 1RSG FAD 3.60656
287 3LZW FAD 3.60656
288 1YY5 FAD 3.60656
289 3ETG GLU 3.60656
290 3LZW NAP 3.60656
291 3ETG NDP 3.60656
292 1DSS NAD 3.60656
293 4PLG NAI 3.60656
294 4PLG OXM 3.60656
295 4BJZ FAD 3.60656
296 4BJZ P3A 3.60656
297 1PZG A3D 3.60656
298 5K0A FAD 3.60656
299 5X68 FAD 3.60656
300 1GET FAD 3.60656
301 3AB1 FAD 3.60656
302 3G5S FAD 3.60656
303 1CZA G6P 3.60656
304 1Q1R FAD 3.60656
305 1RYI GOA 3.60656
306 1TZJ A3B 3.60656
307 1RYI FAD 3.60656
308 3ETG GTP 3.60656
309 6AIN FAD 3.60656
310 4RSL FAD 3.60656
311 4J36 1HR 3.61446
312 4J36 FAD 3.61446
313 5X9D 80F 3.61842
314 6GAS FAD 3.62538
315 5N6C NAD 3.66667
316 2WD7 VGD 3.73134
317 2DT5 NAD 3.79147
318 4YDU ADP 3.79747
319 2JL1 NAP 3.83275
320 2CUL FAD 3.87931
321 5UAO FAD 3.8817
322 3KLJ FAD 3.8961
323 2G5C NAD 3.91459
324 2VHW NAI 3.93443
325 1NVM NAD 3.93443
326 1B8U NAD 3.93443
327 5NMX NAP 3.93443
328 6C4N NAP 3.93443
329 5DN9 NAD 3.93443
330 4W6Z 8ID 3.93443
331 4D04 FAD 3.93443
332 4D04 NAP 3.93443
333 4KVL PLM 3.93443
334 2GV8 NDP 3.93443
335 1EZ4 NAD 3.93443
336 3H9E NAD 3.93443
337 1UWK URO 3.93443
338 1UWK NAD 3.93443
339 1GPE FAD 3.93443
340 1D4D FAD 3.93443
341 4NTD FAD 3.93443
342 5GUD NDP 3.93443
343 1DIG NAP 3.93443
344 2GV8 FAD 3.93443
345 1D4D SIN 3.93443
346 1KEW NAD 3.93443
347 5GUD 2IT 3.93443
348 1R6D NAD 3.93443
349 5GS9 ARG 3.93443
350 1R6D DAU 3.93443
351 5NMX FAD 3.93443
352 1B8U OAA 3.93443
353 1KEW TYD 3.93443
354 2GVC FAD 3.93443
355 1VQW FAD 3.93443
356 4B4U NAP 3.9604
357 5BSH PRO 3.97112
358 5TQZ GLC 4
359 4YCA NDP 4.08163
360 4XJ7 ADE 4.11985
361 1NVT NAP 4.18118
362 4PLT OXM 4.22961
363 4PLT NAI 4.22961
364 4JK3 NAD 4.2471
365 4J4H 1J1 4.2471
366 4J4H NAI 4.2471
367 1MUU NAD 4.2623
368 1MV8 NAD 4.2623
369 2FZW NAD 4.2623
370 1D1T NAD 4.2623
371 1H2B NAJ 4.2623
372 5M67 3D1 4.2623
373 5M67 NAD 4.2623
374 5M67 ADE 4.2623
375 3KB6 NAD 4.2623
376 5ZI2 NAD 4.2623
377 2WPF FAD 4.2623
378 6ER9 FAD 4.2623
379 2WPF WPF 4.2623
380 6ER9 NAP 4.2623
381 1KOL NAD 4.2623
382 5I39 FAD 4.2623
383 5VN0 NAI 4.2623
384 5ZI2 ADP 4.2623
385 2Z3Y F2N 4.2623
386 1QO8 FAD 4.2623
387 5VN0 FAD 4.2623
388 3VPH NAD 4.2623
389 2VVM FAD 4.2623
390 2C29 NAP 4.2623
391 2VVL FAD 4.2623
392 1SB8 UD2 4.2623
393 2GN4 NDP 4.2623
394 2GN4 UD1 4.2623
395 1K3T BRZ 4.2623
396 1SB8 NAD 4.2623
397 3VPH OXM 4.2623
398 2BGM NAJ 4.31655
399 5TUF TDC 4.40098
400 5TUF FAD 4.40098
401 5Y8L HUI 4.40678
402 5Y8L NAD 4.40678
403 5T9E NAP 4.42804
404 5T9F NAP 4.42804
405 5T9F TYR 4.42804
406 4EA7 COA 4.54545
407 4EA7 JB2 4.54545
408 1EBF NAD 4.59016
409 2JHF NAD 4.59016
410 2ZJ1 ARJ 4.59016
411 2ZJ1 NAD 4.59016
412 1BW9 NAD 4.59016
413 5BVA FAD 4.59016
414 1C1X NAD 4.59016
415 3SQP FAD 4.59016
416 3GD4 NAD 4.59016
417 3CTY FAD 4.59016
418 1BXG NAD 4.59016
419 4BV6 FAD 4.59016
420 1GR0 NAD 4.59016
421 5GSN NAP 4.59016
422 5GSN FAD 4.59016
423 5GSN MMZ 4.59016
424 3GD4 FAD 4.59016
425 4UP3 NDP 4.59016
426 5NA1 FAD 4.59016
427 4TQG NDP 4.59016
428 2RI1 GLP 4.68085
429 3ENV ABF 4.68085
430 2HMT NAI 4.86111
431 1X87 NAD 4.90018
432 3BAZ NAP 4.91803
433 4RQU NAD 4.91803
434 2YVF FAD 4.91803
435 2YVF NAD 4.91803
436 5AYV KPL 4.91803
437 1KEV NDP 4.91803
438 4A0S NAP 4.91803
439 1REO FAD 4.91803
440 1F8F NAD 4.91803
441 5AYV NAP 4.91803
442 1X14 NAD 4.91803
443 3HB5 NAP 4.91803
444 2BKX F6R 4.95868
445 6AA8 NAD 4.96689
446 3Q3C NAD 5.01672
447 4XB2 NDP 5.2459
448 1P0F NAP 5.2459
449 1E3I CXF 5.2459
450 4XB2 HSE 5.2459
451 5L4L NAP 5.2459
452 1E1M FAD 5.2459
453 1E1M NAP 5.2459
454 2B9W FAD 5.2459
455 5YU3 PRO 5.2459
456 5YU3 NAD 5.2459
457 1UDB NAD 5.2459
458 1UDB UFG 5.2459
459 3OND ADN 5.2459
460 3OND NAD 5.2459
461 4U8P UDP 5.2459
462 5JY6 NAD 5.2459
463 4U8P FDA 5.2459
464 2YVJ NAI 5.50459
465 2YVJ FAD 5.50459
466 6F3N ADN 5.57377
467 6F3N NAD 5.57377
468 1LVL NAD 5.57377
469 4R5M NAP 5.57377
470 4XQC NAD 5.57377
471 1SAY PYR 5.57377
472 1J0X NAD 5.57377
473 1RM4 NDP 5.57377
474 4XQC 13D 5.57377
475 2IXB NAD 5.57377
476 5A1T NAI 5.57377
477 4R5M 4NO 5.57377
478 6F3M NAD 5.57377
479 5A1T OXM 5.57377
480 1MO9 KPC 5.57377
481 2GSD NAD 5.57377
482 2B4R NAD 5.57377
483 1MO9 FAD 5.57377
484 2B4R AES 5.57377
485 2IXB A2G 5.57377
486 3L6C MLI 5.57377
487 3BY9 SIN 5.57377
488 3IHG FAD 5.57377
489 1O6Z NAD 5.61056
490 5N53 8NB 5.64103
491 1VI2 NAD 5.66667
492 1VL0 NAI 5.82192
493 5OVK NDP 5.85938
494 5UAV NDP 5.90062
495 5UAV TFB 5.90062
496 4E5N NAD 5.90164
497 5A04 BGC 5.90164
498 5KMS NAD 5.90164
499 3ITJ CIT 5.90164
500 4ZCC FAD 5.90164
501 4ZCC NAI 5.90164
502 3ZNN 4WL 5.90164
503 3ZNN FAD 5.90164
504 1GAD NAD 5.90164
505 2VYN NAD 5.90164
506 4XZ3 COA 5.90164
507 3S5W NAP 5.90164
508 4RPL FAD 5.90164
509 4RPL 3UC 5.90164
510 5A04 NDP 5.90164
511 4Z0H NAD 5.90164
512 1O94 ADP 5.90164
513 1UXG FUM 5.90164
514 1UXG NAD 5.90164
515 5KMS FAD 5.90164
516 1COY AND 5.90164
517 1COY FAD 5.90164
518 3S5W FAD 5.90164
519 1NPD NAD 5.90278
520 3WV8 ATP 5.9633
521 5N2I NAP 6.03448
522 4JWK CTN 6.21762
523 5H81 NAP 6.22951
524 3B20 NAD 6.22951
525 4EMI NAD 6.22951
526 3V1Y NAD 6.22951
527 2D2I NAP 6.22951
528 5UR0 NAD 6.22951
529 3B1J NAD 6.22951
530 4B63 NAP 6.22951
531 4B63 ORN 6.22951
532 4B63 FAD 6.22951
533 4OPC PGT 6.22951
534 4OPC FDA 6.22951
535 5OC1 FAD 6.22951
536 4XYM COA 6.22951
537 2QA1 FAD 6.22951
538 5FJN BE2 6.22951
539 5FJN FAD 6.22951
540 3NKS FAD 6.22951
541 3L4S NAD 6.22951
542 3L4S 3PG 6.22951
543 3DAG FEG 6.22951
544 1FUR MLT 6.22951
545 5U5N NAD 6.45161
546 4D79 ATP 6.52174
547 2CDU ADP 6.55738
548 1WDK NAD 6.55738
549 2DBZ NAP 6.55738
550 1GV0 NAD 6.55738
551 1GUZ NAD 6.55738
552 5MIT FAD 6.55738
553 5MIT NAP 6.55738
554 2CDU FAD 6.55738
555 3K7M FAD 6.55738
556 4IDC 1XX 6.55738
557 4IDC NDP 6.55738
558 6F97 FAD 6.55738
559 5D4V SAH 6.55738
560 5TUK FAD 6.55738
561 5AEW BNL 6.55738
562 4DSG FAD 6.55738
563 1HDG NAD 6.55738
564 3CGB FAD 6.55738
565 3NJ4 AFX 6.66667
566 3NJ4 NAD 6.66667
567 5CAE SIN 6.70927
568 5CAE COA 6.70927
569 5NM7 GLY 6.76692
570 1FS5 TLA 6.76692
571 4ZGS NAD 6.88525
572 4JBI NDP 6.88525
573 1CF2 NAP 6.88525
574 4GKV NAD 6.88525
575 4OM8 NAD 6.88525
576 5WGR FAD 6.88525
577 2VTD LKM 6.88525
578 1PJS NAD 6.88525
579 3B1F NAD 6.89655
580 1A5Z NAD 6.89655
581 2D2F ADP 7.2
582 4XDZ NDP 7.21311
583 5E4R NAP 7.21311
584 2YYY NAP 7.21311
585 6A3J SOE 7.21311
586 1H6C NDP 7.21311
587 6A3J NAI 7.21311
588 1H6C SIN 7.21311
589 2XVE FAD 7.21311
590 2XVF FAD 7.21311
591 4K5S PM0 7.21311
592 4K5S FAD 7.21311
593 4REP FAD 7.21311
594 1M0S CIT 7.30594
595 3QV1 NAD 7.31707
596 1LK7 DER 7.42358
597 2VT3 ATP 7.44186
598 1LVW TYD 7.45763
599 5AOV NAP 7.54098
600 1HKU NAD 7.54098
601 4OOE FOM 7.54098
602 4OOE NDP 7.54098
603 2RAB NAD 7.54098
604 3FPZ AHZ 7.54098
605 3WQQ NDP 7.54098
606 3WQQ IB3 7.54098
607 2RAB FAD 7.54098
608 2BRY FAD 7.54098
609 4EIP FAD 7.54098
610 5OCQ CIT 7.7193
611 1E6E FAD 7.8125
612 1LSS NAD 7.85714
613 2GZ3 NAP 7.86885
614 2I3G NAP 7.86885
615 6A0S NDP 7.86885
616 6A0S HSE 7.86885
617 4LHD GLY 7.86885
618 4TXI FAD 7.86885
619 1DLJ UGA 7.86885
620 1DLJ NAI 7.86885
621 5Z2F NAP 7.92453
622 4KP7 1UQ 7.96253
623 4KP7 NAP 7.96253
624 1E5Q NDP 8.19672
625 2Q0L NAP 8.19672
626 9LDT NAD 8.19672
627 9LDB NAD 8.19672
628 5J7X FAD 8.19672
629 2Q0L FAD 8.19672
630 5DF1 NAP 8.19672
631 5DF1 58X 8.19672
632 5G4L NDP 8.19672
633 3H8V ATP 8.21918
634 5F5N NAD 8.3045
635 1UJ5 5RP 8.37004
636 3CMC NAD 8.38323
637 1DRV A3D 8.42491
638 4II2 ATP 8.43373
639 1NYT NAP 8.48709
640 2OOR NAD 8.52459
641 1H82 GZZ 8.52459
642 1H82 FAD 8.52459
643 2IVD FAD 8.52459
644 3E1T FAD 8.52459
645 1F8G NAD 8.52459
646 1IZC PYR 8.52459
647 4YKG NAD 8.52459
648 5XWV 8H6 8.52459
649 1GTE FAD 8.52459
650 4YKG FAD 8.52459
651 5XWV NDP 8.52459
652 1FL2 FAD 8.52459
653 5OD2 GLC 8.52459
654 5L95 AMP 8.60215
655 3QFA FAD 8.62069
656 2PV7 NAD 8.72483
657 2DFV NAD 8.85246
658 4DPL NAP 8.85246
659 4MP8 NAD 8.85246
660 4MP8 MLI 8.85246
661 2DKH 3HB 8.85246
662 2DKH FAD 8.85246
663 2ZXI FAD 8.85246
664 2CVZ NDP 8.99654
665 1WP4 NDP 8.99654
666 5U5G NAP 9.15254
667 2GAG FOA 9.18033
668 2GAG FAD 9.18033
669 4RDH AMP 9.18033
670 1R37 NAD 9.18033
671 3O9Z NAD 9.18033
672 3O9Z AKG 9.18033
673 4RDI ATP 9.18033
674 5KKA 6V0 9.18033
675 2GAG NAD 9.18033
676 3HDY FDA 9.18033
677 3HDY GDU 9.18033
678 3HDY FAD 9.18033
679 3VYW SAM 9.18033
680 2ZE3 AKG 9.45455
681 3NYC FAD 9.5082
682 3NYC IAR 9.5082
683 5NUF NAD 9.5082
684 5LD5 NAD 9.5082
685 5NUE NAD 9.5082
686 6CEP NAD 9.5082
687 6CEP OXM 9.5082
688 1RM0 D6P 9.83607
689 1RM0 NAI 9.83607
690 1ZEM NAD 9.92366
691 4TSK NDP 10
692 5TVA AMP 10
693 1RYD NDP 10.1639
694 4ZVV GN0 10.1639
695 4ZVV NAD 10.1639
696 1P77 ATR 10.2941
697 3ORF NAD 10.3586
698 5DOZ NDP 10.4918
699 3ZVS MLI 10.625
700 1YB5 NAP 10.8197
701 5OCM NAP 10.9966
702 1FEC FAD 11.1475
703 4E13 NAD 11.3074
704 4K7O EKZ 11.3095
705 5JCA NDP 11.4754
706 4CQM NAP 11.4754
707 5JCA FAD 11.4754
708 3GGO ENO 11.4754
709 3GGO NAI 11.4754
710 4YSX FAD 11.7021
711 3ULK NDP 11.8033
712 4YRY FAD 11.8033
713 4YRY NAD 11.8033
714 1FWV SGA MAG FUC 11.9403
715 1LDM NAD 12.1311
716 1Z82 NDP 12.1311
717 1O8B ABF 12.3288
718 3AD8 FAD 12.459
719 3AD8 PYC 12.459
720 1V6A TRE 12.459
721 5YRV 5AD 12.459
722 2HQM FAD 12.459
723 3AD8 NAD 12.459
724 2F1K NAP 12.5448
725 3NOJ PYR 12.605
726 4G86 BNT 12.6761
727 2VOH CIT 12.7389
728 1PL6 NAD 12.7869
729 1PL6 572 12.7869
730 2F5Z FAD 12.7869
731 4B7X NAP 12.7869
732 5EES NAP 12.9555
733 4KQW NAP 13.1148
734 5J5Z FAD 13.1148
735 1JNR FAD 13.3333
736 1GZ4 ATP 13.4426
737 2C7G FAD 13.7705
738 2C7G ODP 13.7705
739 2E5V FAD 13.7705
740 2NVK NAP 14.0984
741 3I6I NDP 14.0984
742 2NVK FAD 14.0984
743 5Z75 NAD 14.0984
744 1CDO NAD 14.4262
745 5KAX RHQ 14.4578
746 1LC3 NAD 14.6259
747 1ZH8 NAP 14.7541
748 2AJ4 GLA 14.7541
749 2GMH FAD 15.082
750 1TB4 PEJ 15.082
751 1C3V NDP 15.102
752 1GQ2 NAP 15.7377
753 1Y8Q ATP 15.7377
754 1BXK NAD 16.0656
755 2JB2 PHE 16.0656
756 2JB2 FAD 16.0656
757 5EIN NAP 16.6667
758 3RC1 NAP 17.0492
759 3RC1 TLO 17.0492
760 1T36 ORN 18.0328
761 5ODQ FAD 18.5714
762 5KVS NAP 19.0164
763 5KVS 6XR 19.0164
764 1LLU NAD 19.3443
765 1U1I NAD 20
766 5KK4 44E 20.8333
767 6BII NAP 21.021
768 3ABI NAD 21.3115
769 1VM6 NAD 21.4912
770 4JCA CIT 21.5569
771 1J5P NAD 21.9672
772 5ZZ6 NAD 22.1154
773 5ZZ6 ADP 22.1154
774 1NE7 AGP 23.1834
775 2NZU BG6 23.8636
776 5YEC ATP 28.5714
777 2DC1 NAD 37.2881
Pocket No.: 2; Query (leader) PDB : 3WBF; Ligand: API; 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: 3wbf.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3WBF; Ligand: NAP; Similar sites found with APoc: 875
This union binding pocket(no: 3) in the query (biounit: 3wbf.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 1KYQ NAD None
2 2E1A MSE None
3 1YS4 NAP 0.983607
4 5BJX NAD 0.983607
5 5BJX UDP 0.983607
6 1XXR MAN 1.24224
7 5EJ2 NAD 1.31148
8 3K5I AIR 1.63934
9 4KOA NDP 1.63934
10 2QRK AMP 1.63934
11 2GLX NDP 1.63934
12 1RPN NDP 1.63934
13 2Q1S NAI 1.63934
14 4CNK FAD 1.63934
15 6EL3 NAP 1.63934
16 5JWC FAD 1.63934
17 1E7S NAP 1.63934
18 1U3U BNF 1.96721
19 1U3U NAD 1.96721
20 4D3F NAP 1.96721
21 3OJO NAD 1.96721
22 1LTH NAD 1.96721
23 1X7D ORN 1.96721
24 2GCG NDP 1.96721
25 1X7D NAD 1.96721
26 1YQD NAP 1.96721
27 3UOY FAD 1.96721
28 3UOY NAP 1.96721
29 1V59 FAD 1.96721
30 1V59 NAD 1.96721
31 1Q0H NDP 1.96721
32 3UCL NAP 1.96721
33 5ZYN FAD 1.96721
34 1I2B USQ 1.96721
35 1I2B NAD 1.96721
36 1I2B UPG 1.96721
37 1Q0H FOM 1.96721
38 1Q9I FAD 1.96721
39 1Q9I TEO 1.96721
40 3UCL FAD 1.96721
41 3UCL CYH 1.96721
42 4YNU FAD 1.96721
43 6AM8 TRP 1.96721
44 3A4V PYR 1.96721
45 3A4V NAD 1.96721
46 4RF7 ARG 1.96721
47 2NZ2 ASP 1.96721
48 3WMX NAD 1.96721
49 3JYN NDP 1.96721
50 1PGP 6PG 1.96721
51 1N1G BCP 1.96721
52 4YNU LGC 1.96721
53 6EDV COA 2.06186
54 1LUA NAP 2.09059
55 1ZK7 FAD 2.14133
56 1R4W GSH 2.21239
57 1J49 NAD 2.29508
58 5FI3 NAP 2.29508
59 3TWO NDP 2.29508
60 2CDC XYP 2.29508
61 2CDC XYS 2.29508
62 5U8U FAD 2.29508
63 5TS5 FAD 2.29508
64 2IID FAD 2.29508
65 2IID PHE 2.29508
66 4XYB NDP 2.29508
67 4Y1B NAP 2.29508
68 1BZL GCG 2.29508
69 1BZL FAD 2.29508
70 2YG3 FAD 2.29508
71 1PN0 FAD 2.29508
72 1PN0 IPH 2.29508
73 4CJX NAP 2.29508
74 4M52 FAD 2.29508
75 2QZZ NAP 2.29508
76 3QVP FAD 2.29508
77 4M52 M52 2.29508
78 2A8X FAD 2.29508
79 1OC2 NAD 2.29508
80 1OC2 TDX 2.29508
81 2QZZ EMF 2.29508
82 5EZ7 FAD 2.29508
83 5HSA FAS 2.29508
84 4NTC FAD 2.29508
85 2CDC NAP 2.29508
86 1SOW NAD 2.29508
87 4MO2 FDA 2.29508
88 2A92 NAI 2.29508
89 4MO2 FAD 2.29508
90 5K4W THR 2.29508
91 5HXI FAD 2.29508
92 5K4W NAI 2.29508
93 6F7L FAD 2.29508
94 5HXI 5HN 2.29508
95 4TM3 FAD 2.29508
96 1OFZ FUL 2.29508
97 6BWL NAD 2.29508
98 1VKO NAD 2.29508
99 3GMB FAD 2.29508
100 4JDR FAD 2.29508
101 1YJQ NAP 2.31023
102 5A96 GTP 2.40964
103 3C7A NAD 2.47525
104 5J60 FAD 2.5
105 2HK9 NAP 2.54545
106 2HK9 ATR 2.54545
107 3RFV NAI 2.62172
108 3RFV 15L 2.62172
109 5Z20 NAI 2.62295
110 4XDY NAI 2.62295
111 5XVH NAP 2.62295
112 2NPX NAD 2.62295
113 5X20 NAD 2.62295
114 1WPQ NAD 2.62295
115 2HJR APR 2.62295
116 3C1O NAP 2.62295
117 3CIF NAD 2.62295
118 2Q7V FAD 2.62295
119 4MIG G3F 2.62295
120 5G3U FDA 2.62295
121 1T26 GBD 2.62295
122 1T26 NAI 2.62295
123 3A06 NDP 2.62295
124 3T31 DCQ 2.62295
125 3T31 FAD 2.62295
126 1C0I BE2 2.62295
127 1C0I FAD 2.62295
128 3QJ4 FAD 2.62295
129 2CVQ NDP 2.62295
130 5MZI FAD 2.62295
131 5MZI FYK 2.62295
132 3ICT FAD 2.62295
133 5Y77 FAD 2.62295
134 5G3U ITW 2.62295
135 5KOX FAD 2.62295
136 5KOX RFP 2.62295
137 5TWB FAD 2.62295
138 1TDF NAP 2.62295
139 5N0J FAD 2.62295
140 1DJN ADP 2.62295
141 1TDF FAD 2.62295
142 4YT4 FE9 2.62295
143 3ICS FAD 2.62295
144 3ICR FAD 2.62295
145 2NPX FAD 2.62295
146 5MDH NAD 2.62295
147 3A06 FOM 2.62295
148 4MDH NAD 2.62295
149 2FR1 NDP 2.62295
150 3ICT ADP 2.62295
151 3X0V FAD 2.62295
152 2Q1W NAD 2.62295
153 6DNT NAD 2.62295
154 1N9G NAP 2.62295
155 5ZBC FAD 2.62295
156 3ICS ADP 2.62295
157 5Z5I XYP 2.62295
158 4JB0 ENO 2.62295
159 5MQ6 NDP 2.62295
160 4D7E FAD 2.62295
161 5DP2 NAP 2.62295
162 4R1S NAP 2.62295
163 3CIF G3H 2.62295
164 4Y9D NAI 2.62295
165 1EJH M7G 2.63158
166 5JE8 NAD 2.64901
167 2AG8 NAP 2.6616
168 5ZI9 FLC 2.69231
169 1XSE NDP 2.71186
170 3BP1 GUN 2.75862
171 1ZQ9 SAM 2.80702
172 1JAY NAP 2.83019
173 3AQT RCO 2.85714
174 6C4T NA7 2.88889
175 4JJF FE9 2.90698
176 3WLE NAD 2.95082
177 1HYH NAD 2.95082
178 4BVA NDP 2.95082
179 1OMO NAD 2.95082
180 3HAD NAD 2.95082
181 1V8B NAD 2.95082
182 1KJ8 GAR 2.95082
183 3AYI HCI 2.95082
184 3AYI FAD 2.95082
185 4FWE FAD 2.95082
186 4AP3 NAP 2.95082
187 4AP3 FAD 2.95082
188 1QMG APX 2.95082
189 1LDN NAD 2.95082
190 3WGT FAD 2.95082
191 3WGT QSC 2.95082
192 2WET FAD 2.95082
193 1Q19 SSC 2.95082
194 5TTJ FAD 2.95082
195 3LXD FAD 2.95082
196 4EDF UPG 2.95082
197 1YQZ FAD 2.95082
198 5JCM NAD 2.95082
199 5JCM FAD 2.95082
200 2PK3 A2R 2.95082
201 5JCM ISD 2.95082
202 5BUK FAD 2.95082
203 5BRT FAD 2.95082
204 5BRT CH9 2.95082
205 2DM6 IMN 2.95082
206 1I8T FAD 2.95082
207 6GAR FAD 2.95082
208 1LJ8 NAD 2.95082
209 4JNA FAD 2.95082
210 3L9W AMP 2.95082
211 4AT0 FAD 2.95082
212 4Z24 FAD 2.95082
213 5L4S 6KX 2.95082
214 5L4S NAP 2.95082
215 2DM6 NAP 2.95082
216 4BVA T3 2.95082
217 1O0S NAI 2.95082
218 1M2W NAD 2.95082
219 4RVU NDP 2.95082
220 3F8D FAD 2.95082
221 1ZBQ NAD 2.95082
222 1NAA ABL 2.95082
223 1NAA 6FA 2.95082
224 1QXA GLY GLY GLY