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Receptor
PDB id Resolution Class Description Source Keywords
2AHR 2.15 Å EC: 1.5.1.2 CRYSTAL STRUCTURES OF 1-PYRROLINE-5-CARBOXYLATE REDUCTASE FR PATHOGEN STREPTOCOCCUS PYOGENES STREPTOCOCCUS PYOGENES 1-PYRROLINE-5-CARBOXYLATE REDUCTASE PYRROLINE-5-CARBOXYLATEREDUCTASE PYRROLINE REDUCTASE PROLINE BIOSYNTHESIS NAD(PPROTEIN ROSSMANN FOLD DOAIN SWAPPING HUMAN PATHOGEN STREPTOCOCCUS PYOGENES STRUCTURAL GENOMICS MCSG PSI PROSTRUCTURE INITIATIVE MIDWEST CENTER FOR STRUCTURAL GENOMICOXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF DELTA(1)-PYRROLINE-5-CARBOXYL REDUCTASE FROM HUMAN PATHOGENS NEISSERIA MENINGITID STREPTOCOCCUS PYOGENES J.MOL.BIOL. V. 354 91 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMT A:1508;
B:1509;
C:1510;
D:1511;
E:1512;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
46.025 C H2 O2 C(=O)...
NA A:1257;
B:1258;
C:1259;
D:1260;
E:1261;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
NAP A:1500;
B:1501;
C:1502;
D:1503;
E:1504;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
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
2AHR 2.15 Å EC: 1.5.1.2 CRYSTAL STRUCTURES OF 1-PYRROLINE-5-CARBOXYLATE REDUCTASE FR PATHOGEN STREPTOCOCCUS PYOGENES STREPTOCOCCUS PYOGENES 1-PYRROLINE-5-CARBOXYLATE REDUCTASE PYRROLINE-5-CARBOXYLATEREDUCTASE PYRROLINE REDUCTASE PROLINE BIOSYNTHESIS NAD(PPROTEIN ROSSMANN FOLD DOAIN SWAPPING HUMAN PATHOGEN STREPTOCOCCUS PYOGENES STRUCTURAL GENOMICS MCSG PSI PROSTRUCTURE INITIATIVE MIDWEST CENTER FOR STRUCTURAL GENOMICOXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF DELTA(1)-PYRROLINE-5-CARBOXYL REDUCTASE FROM HUMAN PATHOGENS NEISSERIA MENINGITID STREPTOCOCCUS PYOGENES J.MOL.BIOL. V. 354 91 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2AHR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 2AMF - PRO C5 H9 N O2 C1C[C@H](N....
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 2AHR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 2AMF - PRO C5 H9 N O2 C1C[C@H](N....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2AHR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 2AMF - PRO C5 H9 N O2 C1C[C@H](N....
3 5BSG - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 5BSH - PRO C5 H9 N O2 C1C[C@H](N....
5 5BSF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 5UAV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
7 5UAU - PRO C5 H9 N O2 C1C[C@H](N....
8 2IZZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 5UAT - 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 : 2AHR; Ligand: NAP; Similar sites found with APoc: 302
This union binding pocket(no: 1) in the query (biounit: 2ahr.bio4) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 1Z82 NDP None
2 1LDN NAD 1.1583
3 4EA7 JB2 1.36364
4 4EA7 COA 1.36364
5 1NF8 BOG 1.44928
6 6C4N NAP 1.5444
7 4CM4 4NR 1.5444
8 1YKJ FAD 1.5444
9 1YKJ PHB 1.5444
10 2Q46 NAP 1.58103
11 1PJS NAD 1.9305
12 3DAG FEG 1.9305
13 3Q3C NAD 1.9305
14 1LTH NAD 1.9305
15 2NVK NAP 1.9305
16 1ZX5 LFR 1.9305
17 4YKG NAD 1.9305
18 3NJ4 NAD 1.9305
19 4YKG FAD 1.9305
20 3NJ4 AFX 1.9305
21 1FL2 FAD 1.9305
22 3ICS ADP 2.3166
23 3ICT ADP 2.3166
24 1WPQ NAD 2.3166
25 2Q0L NAP 2.3166
26 1N1G BCP 2.3166
27 3QV1 NAD 2.3166
28 4XDZ NDP 2.3166
29 5A04 BGC 2.3166
30 5A04 NDP 2.3166
31 1H82 FAD 2.3166
32 4D3F NAP 2.3166
33 1RM4 NDP 2.3166
34 1H82 GZZ 2.3166
35 3K7M FAD 2.3166
36 5E4R NAP 2.3166
37 4XFR CIT 2.3166
38 5OJL TXP 2.3166
39 1REO FAD 2.3166
40 1DIG NAP 2.3166
41 5Y8L HUI 2.7027
42 5Y8L NAD 2.7027
43 1LUA NAP 2.7027
44 1X87 NAD 2.7027
45 1O0S NAI 2.7027
46 5J5Z FAD 2.7027
47 3V1Y NAD 2.7027
48 4E13 NAD 2.7027
49 5G3U ITW 2.7027
50 5G3U FDA 2.7027
51 4KP7 1UQ 2.7027
52 4KP7 NAP 2.7027
53 4B63 FAD 2.7027
54 4B63 NAP 2.7027
55 4B63 ORN 2.7027
56 3LXD FAD 2.7027
57 4WH9 3M8 2.73224
58 3H8V ATP 3.08219
59 4RDH AMP 3.0888
60 4D79 ATP 3.0888
61 4RDI ATP 3.0888
62 5LD5 NAD 3.0888
63 5YLF BGC 3.0888
64 1NPD NAD 3.0888
65 1VI2 NAD 3.0888
66 4KQW NAP 3.0888
67 3WBF NAP 3.0888
68 3CIF G3H 3.0888
69 3WBF API 3.0888
70 3CIF NAD 3.0888
71 5MBX FAD 3.0888
72 5MBX SP5 3.0888
73 2VHW NAI 3.0888
74 1T26 GBD 3.0888
75 1T26 NAI 3.0888
76 6F3N ADN 3.0888
77 6F3N NAD 3.0888
78 6F3M NAD 3.0888
79 2I3G NAP 3.0888
80 1EZ4 NAD 3.0888
81 4Z0H NAD 3.0888
82 1Q1R FAD 3.0888
83 1UWK URO 3.0888
84 1UWK NAD 3.0888
85 4URS C2E 3.19149
86 5L95 AMP 3.22581
87 2VT3 ATP 3.25581
88 5NM7 GLY 3.38346
89 4YCA NDP 3.4749
90 1UXG NAD 3.4749
91 1UXG FUM 3.4749
92 1CER NAD 3.4749
93 2HJR APR 3.4749
94 5Z20 NAI 3.4749
95 4ZGS NAD 3.4749
96 4XYB NDP 3.4749
97 3VPH OXM 3.4749
98 3VPH NAD 3.4749
99 1J0X NAD 3.4749
100 5A0U CHT 3.4749
101 4URG C2E 3.59281
102 1QXA GLY GLY GLY 3.82979
103 4B4U NAP 3.861
104 1V59 NAD 3.861
105 3L9W AMP 3.861
106 6C4T NA7 3.861
107 3GFB NAD 3.861
108 2IXB A2G 3.861
109 1DSS NAD 3.861
110 2IXB NAD 3.861
111 1GV0 NAD 3.861
112 4ZVV GN0 3.861
113 3KB6 NAD 3.861
114 5D4V SAH 3.861
115 6AA8 NAD 3.861
116 4M52 FAD 3.861
117 1GQ2 NAP 3.861
118 9LDB NAD 3.861
119 3FPZ AHZ 3.861
120 4ZVV NAD 3.861
121 6CEP NAD 3.861
122 1GUZ NAD 3.861
123 1GZ4 ATP 3.861
124 3H9E NAD 3.861
125 1V8B NAD 3.861
126 1ON3 DXX 4.2471
127 2CVZ NDP 4.2471
128 5CAE SIN 4.2471
129 5CAE COA 4.2471
130 1M2W NAD 4.2471
131 5W3K NDP 4.2471
132 5W3K 9TY 4.2471
133 1X14 NAD 4.2471
134 1A5Z NAD 4.2471
135 4TSK NDP 4.2471
136 1WP4 NDP 4.2471
137 2IID PHE 4.2471
138 2IID FAD 4.2471
139 3BAZ NAP 4.2471
140 5JY6 NAD 4.2471
141 1LJ8 NAD 4.2471
142 5TS5 FAD 4.2471
143 1YJQ NAP 4.6332
144 1MUU NAD 4.6332
145 1OMO NAD 4.6332
146 1NVM NAD 4.6332
147 1MV8 NAD 4.6332
148 5YAP 8S0 4.6332
149 4FWE FAD 4.6332
150 5YAP NAI 4.6332
151 5TTJ FAD 4.6332
152 2WET FAD 4.6332
153 3IWJ NAD 4.6332
154 1C3M MAN MAN 4.7619
155 3ABI NAD 5.01931
156 5EES NAP 5.26316
157 1LVL NAD 5.40541
158 1HYH NAD 5.40541
159 1YY5 FAD 5.40541
160 1RSG FAD 5.40541
161 1F8G NAD 5.40541
162 1GTE FAD 5.40541
163 2Z3Y F2N 5.40541
164 3GRU AMP 5.40541
165 1QB7 ADE 5.50847
166 3HAD NAD 5.79151
167 5U8U FAD 5.79151
168 1GR0 NAD 5.79151
169 1O6Z NAD 5.79151
170 6F7L FAD 5.79151
171 5T9E NAP 5.90406
172 3LL5 IP8 6.0241
173 4II2 ATP 6.13497
174 1WDK NAD 6.17761
175 6C4M NAP 6.17761
176 2AQJ TRP 6.17761
177 2AQJ FAD 6.17761
178 4YT4 FE9 6.17761
179 1ZQ9 SAM 6.17761
180 2D2I NAP 6.31579
181 3OJO NAD 6.56371
182 4E5N NAD 6.56371
183 4XB2 NDP 6.56371
184 4XB2 HSE 6.56371
185 2B4R AES 6.56371
186 2B4R NAD 6.56371
187 5JE8 NAD 6.94981
188 2YVJ NAI 6.94981
189 5UR0 NAD 6.94981
190 3B20 NAD 7.07965
191 3B1J NAD 7.07965
192 5AYV NAP 7.33591
193 5AYV KPL 7.33591
194 4JJF N2I 7.33591
195 4JJF FE9 7.33591
196 1EBF NAD 7.33591
197 2YG3 FAD 7.33591
198 3F8D FAD 7.33591
199 5ZZ6 ADP 7.69231
200 5ZZ6 NAD 7.69231
201 6A3J SOE 7.72201
202 6A3J NAI 7.72201
203 3T31 FAD 7.72201
204 3T31 DCQ 7.72201
205 2GCG NDP 7.72201
206 4PLT OXM 7.72201
207 4PLT NAI 7.72201
208 3OA2 NAD 7.72201
209 5N2I NAP 7.75862
210 2OOR NAD 8.04598
211 5OFW 9TW 8.07175
212 4JK3 NAD 8.10811
213 4J4H NAI 8.10811
214 4J4H 1J1 8.10811
215 5H81 NAP 8.10811
216 1SC6 NAD 8.10811
217 3CMC NAD 8.10811
218 5U5G NAP 8.10811
219 4XZ3 COA 8.26087
220 2NU8 COA 8.49421
221 2DFV NAD 8.49421
222 3L4S 3PG 8.49421
223 3L4S NAD 8.49421
224 5T9F TYR 8.85609
225 5T9F NAP 8.85609
226 1I36 NAP 8.88031
227 2VYN NAD 8.88031
228 1HDG NAD 8.88031
229 1ZH8 NAP 8.88031
230 1MO9 FAD 8.88031
231 1GAD NAD 8.88031
232 1NYT NAP 8.88031
233 1MO9 KPC 8.88031
234 5N53 8NB 9.23077
235 2CDU ADP 9.26641
236 5Z21 NAI 9.26641
237 2O4C NAD 9.26641
238 2PV7 NAD 9.65251
239 1Y8Q ATP 9.65251
240 1PL6 NAD 9.65251
241 2F1K NAP 10.0386
242 2G5C NAD 10.0386
243 1HKU NAD 10.0386
244 4L8V NAP 10.0386
245 2DBZ NAP 10.0386
246 5TC4 NAD 10.1266
247 1BW9 NAD 10.4247
248 3GGO NAI 10.4247
249 3GGO ENO 10.4247
250 1RYD NDP 10.4247
251 1H6C NDP 10.4247
252 1C1X NAD 10.4247
253 5C9P FUC 10.4247
254 1BXG NAD 10.4247
255 1RYD GLC 10.4247
256 1H6C SIN 10.4247
257 3WV8 ATP 10.5505
258 1KYQ NAD 10.8108
259 2NAD NAD 10.8108
260 1DLJ NAI 10.8108
261 1DLJ UGA 10.8108
262 5EIN NAP 11.1111
263 2YYY NAP 11.1969
264 5KVS NAP 11.1969
265 4GUS FAD 11.2903
266 4HSU FAD 11.2903
267 4GUT FAD 11.2903
268 1P77 ATR 11.583
269 5XVH NAP 11.583
270 1J49 NAD 11.583
271 5AOV NAP 11.583
272 1JAY NAP 11.7925
273 5GZ6 NDP 11.9691
274 5GZ6 7C3 11.9691
275 6BII NAP 11.9691
276 4PLG OXM 11.9691
277 4PLG NAI 11.9691
278 1LSS NAD 12.1429
279 5DN9 NAD 12.3552
280 2DT5 NAD 13.2701
281 5OCM NAP 13.5135
282 1CF2 NAP 13.8996
283 4XDY NAI 14.2857
284 1DJN ADP 14.2857
285 5X20 NAD 14.6718
286 5N6C NAD 14.6718
287 2IZ1 ATR 15.0579
288 4KOA NDP 15.0579
289 1O94 ADP 15.0579
290 2HK9 ATR 16.2162
291 2HK9 NAP 16.2162
292 4UP3 NDP 16.9884
293 1NVT NAP 17.4216
294 1YS4 NAP 20.8494
295 3ULK NDP 21.2355
296 3B1F NAD 21.6216
297 2GNK ATP 22.3214
298 3S5W NAP 22.7799
299 4OM8 NAD 28.1853
300 2GSD NAD 29.3436
301 2HMT NAI 35.4167
302 2AG8 NAP 46.3878
Pocket No.: 2; Query (leader) PDB : 2AHR; Ligand: NAP; 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: 2ahr.bio4) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2AHR; Ligand: NAP; Similar sites found with APoc: 227
This union binding pocket(no: 3) in the query (biounit: 2ahr.bio2) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 1DQN IMU 1.30435
2 1KEV NDP 1.5444
3 3CGD NAD 1.5444
4 3CGD COA 1.5444
5 3CGD FAD 1.5444
6 3BMO AX4 1.5444
7 3BMQ AX5 1.5444
8 3JQ8 DX3 1.5444
9 2NVK FAD 1.9305
10 5M67 ADE 2.3166
11 5M67 NAD 2.3166
12 5TOW ADN 2.3166
13 5TOW NAI 2.3166
14 5M67 3D1 2.3166
15 1RM0 D6P 2.3166
16 2IVD FAD 2.3166
17 1RM0 NAI 2.3166
18 4C2G ALA ALA ALA ALA 2.3166
19 1C0I BE2 2.3166
20 1C0I FAD 2.3166
21 5JCM NAD 2.3166
22 5JCM ISD 2.3166
23 5JCM FAD 2.3166
24 2WPF FAD 2.3166
25 2Q0L FAD 2.3166
26 2WPF WPF 2.3166
27 1CDO NAD 2.3166
28 2CDC XYP 2.7027
29 2CDC NAP 2.7027
30 3WQQ NDP 2.7027
31 3WQQ IB3 2.7027
32 2CDC XYS 2.7027
33 2RAB NAD 2.7027
34 1YKF NAP 2.7027
35 3E1T FAD 2.7027
36 5TUF TDC 2.7027
37 5TUF FAD 2.7027
38 1Q0H NDP 2.7027
39 2QZZ EMF 2.7027
40 2QZZ NAP 2.7027
41 1P31 EPU 2.7027
42 4AP3 NAP 2.7027
43 4AP3 FAD 2.7027
44 2RGO FAD 2.7027
45 5GMH RX8 2.7027
46 1KOL NAD 2.7027
47 2Q7V FAD 2.7027
48 3AXB PRO 2.90179
49 3AXB FAD 2.90179
50 5MIT FAD 3.0888
51 5MIT NAP 3.0888
52 1P9B HDA 3.0888
53 4ZCC NAI 3.0888
54 4ZCC FAD 3.0888
55 1LDM NAD 3.0888
56 2WZF BGC 3.0888
57 3NKS FAD 3.0888
58 1Q9I FAD 3.15236
59 1Q9I TEO 3.15236
60 1X7D ORN 3.4749
61 1X7D NAD 3.4749
62 4OPC PGT 3.4749
63 4OPC FDA 3.4749
64 6A0S NDP 3.4749
65 6A0S HSE 3.4749
66 2VVL FAD 3.4749
67 2VVM FAD 3.4749
68 4CJX NAP 3.4749
69 5YU3 PRO 3.4749
70 5YU3 NAD 3.4749
71 2E5V FAD 3.4749
72 1GZ6 NAI 3.4749
73 1P0F NAP 3.4749
74 5MZI FYK 3.4749
75 5MZI FAD 3.4749
76 5M37 9SZ 3.47826
77 1FWV SGA MAG FUC 3.73134
78 5X9D 80F 3.861
79 6CEP OXM 3.861
80 1F06 2NP 3.861
81 1F06 NDP 3.861
82 3NYC IAR 3.861
83 3NYC FAD 3.861
84 3TWO NDP 3.861
85 3K5I AIR 3.861
86 9LDT NAD 3.861
87 1RP0 AHZ 3.861
88 5BVA FAD 3.861
89 1GPE FAD 3.861
90 1QO8 FAD 3.861
91 1PZG A3D 3.861
92 5O9F NAD 4.2471
93 5O9F 9ON 4.2471
94 3O9Z NAD 4.2471
95 1JNR FAD 4.2471
96 5J60 FAD 4.2471
97 1Y1P NMN AMP PO4 4.2471
98 3QVP FAD 4.2471
99 5C03 AGS 4.2471
100 2GAG FAD 4.2471
101 2GAG NAD 4.2471
102 1GET NAP 4.2471
103 2GAG FOA 4.2471
104 3O9Z AKG 4.2471
105 3HB5 NAP 4.2471
106 1O8B ABF 4.56621
107 4MP8 NAD 4.6332
108 4MP8 MLI 4.6332
109 3OND ADN 4.6332
110 3OND NAD 4.6332
111 1V6A TRE 4.6332
112 3AYI FAD 4.6332
113 3AYI HCI 4.6332
114 5KMS NAD 4.6332
115 2NPX NAD 4.6332
116 3OZ2 FAD 4.6332
117 4K91 SIN 4.6332
118 4V36 LYN 4.6332
119 1G0N NDP 4.6332
120 1G0N PHH 4.6332
121 1J5P NAD 4.74308
122 6GMN F4E 4.80769
123 1YQD NAP 4.91803
124 2GZ3 NAP 5.01931
125 6FHO FAD 5.01931
126 1HYE NAP 5.01931
127 4HA6 FAD 5.01931
128 3A06 NDP 5.01931
129 2CUL FAD 5.17241
130 2QA1 FAD 5.4
131 5FUI APY 5.40541
132 4DPL NAP 5.40541
133 1GPM AMP 5.40541
134 1F76 ORO 5.40541
135 3KLJ FAD 5.40541
136 2AWN ADP 5.40541
137 1U1I NAD 5.40541
138 4C3Y FAD 5.40541
139 1LVL FAD 5.40541
140 4YNU FAD 5.40541
141 1E5Q NDP 5.40541
142 5ZI2 NAD 5.40541
143 4CNK FAD 5.40541
144 2AZ3 CDP 5.4878
145 1XHC FAD 5.72207
146 2ZJ1 NAD 5.79151
147 2ZJ1 ARJ 5.79151
148 5MQ6 NDP 5.79151
149 4BVA NDP 5.79151
150 3WMX NAD 5.79151
151 4NTD FAD 5.79151
152 4EDF UPG 5.79151
153 1C3V NDP 6.12245
154 5FI3 NAP 6.16247
155 5VKT NAP 6.35359
156 5BUK FAD 6.56371
157 2FZW NAD 6.56371
158 4Z24 FAD 6.56371
159 1BZL GCG 6.56371
160 1BZL FAD 6.56371
161 4D42 NAP 6.56371
162 4D42 W0I 6.56371
163 5NMX NAP 6.56371
164 2A92 NAI 6.56371
165 3WLE NAD 6.74487
166 2YVF NAD 6.94981
167 2YVF FAD 6.94981
168 4XQC 13D 6.94981
169 4XQC NAD 6.94981
170 2D24 XYS XYS 6.94981
171 6EGU 43Y 6.94981
172 3QJ4 FAD 6.94981
173 2YVJ FAD 6.94981
174 3ETG GLU 6.94981
175 5TWB FAD 6.94981
176 3ETG NDP 6.94981
177 1LLU NAD 7.33591
178 2GLX NDP 7.33591
179 5EB4 FAD 7.33591
180 1RYI FAD 7.59162
181 1RYI GOA 7.59162
182 4GKV NAD 7.72201
183 3FWN ATR 7.72201
184 4X9M FAD 7.72201
185 3LZW NAP 7.72201
186 3LZW FAD 7.72201
187 1UP7 NAD 7.72201
188 3UCL NAP 8.10811
189 3UCL FAD 8.10811
190 3UCL CYH 8.10811
191 1SOW NAD 8.10811
192 5JWC FAD 8.10811
193 1HFE CYS 8.13008
194 3X0V FAD 9.26641
195 4YRY NAD 9.65251
196 4YRY FAD 9.65251
197 5ODQ FAD 10.0386
198 2Y6Q I7T 10.0386
199 2Y6Q FAD 10.0386
200 5O98 NAP 10.0386
201 3A6T 8OG 10.0775
202 5JCA FAD 10.2113
203 5JCA NDP 10.2113
204 3RJ5 NAD 10.2362
205 1H2B NAJ 10.4247
206 4EMI NAD 10.8108
207 2C7G FAD 11.1969
208 2C7G ODP 11.1969
209 1TV5 ORO 11.1969
210 4MOP 2H5 11.1969
211 5KVS 6XR 11.1969
212 4BV6 FAD 12.3552
213 4CQM NAP 12.3552
214 4OOE FOM 12.3552
215 4OOE NDP 12.3552
216 3GD4 FAD 12.3552
217 3ZNN 4WL 12.7413
218 3ZNN FAD 12.7413
219 1E1M NAP 13.5135
220 1E1M FAD 13.5135
221 3WGT FAD 14.6718
222 1KNR FAD 15.0579
223 1QMG APX 19.6911
224 1QMG DMV 19.6911
225 4YSX FAD 19.8718
226 5VN0 NAI 20.0772
227 5VN0 FAD 20.0772
Pocket No.: 4; Query (leader) PDB : 2AHR; Ligand: NAP; Similar sites found with APoc: 22
This union binding pocket(no: 4) in the query (biounit: 2ahr.bio2) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 3KIH GDL None
2 6FHQ DE5 None
3 2O1C PPV None
4 3JQB DX6 1.5444
5 3JQG AX6 1.5444
6 4CME KTZ 1.5444
7 3JQ7 DX2 1.5444
8 3CXO 1N5 2.7027
9 3S6X SIA GAL BGC 3.0888
10 5GUD NDP 3.861
11 3B6O TMP 4.04858
12 5GG9 8GM 4.2471
13 4TQK NAG 4.2471
14 3F9W SAH 4.81928
15 2OFD NGA 5.6338
16 5TSH ANP 6.17761
17 5XH2 NPO 6.56371
18 1FEC FAD 7.33591
19 1TL2 NDG 8.47458
20 1PS9 NAP 8.49421
21 4XDY HIO 14.2857
22 1VM6 NAD 28.0702
Pocket No.: 5; Query (leader) PDB : 2AHR; Ligand: NAP; Similar sites found with APoc: 23
This union binding pocket(no: 5) in the query (biounit: 2ahr.bio3) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 4WOH 4NP 1.20482
2 2B5W NAP 1.9305
3 1Q0H FOM 2.7027
4 1D1T NAD 2.7027
5 2D3Y DU 3.19635
6 5A96 GTP 3.21285
7 5I7A 68Q 3.4749
8 5E5U MLI 3.861
9 3I7S PYR 4.6332
10 5DF1 NAP 4.6332
11 5DF1 58X 4.6332
12 5MB4 NDG 5.40541
13 1OC2 TDX 5.79151
14 1OC2 NAD 5.79151
15 5YRL GLC GLC 6.33803
16 2B6N ALA PRO THR 6.94981
17 2EV9 SKM 7.98479
18 2EV9 NAP 7.98479
19 1NU4 MLA 8.24742
20 5YEC ATP 10.084
21 5AOG IAC 10.4247
22 1EQ2 ADQ 10.8108
23 1XVB BHL 14.2857
Pocket No.: 6; Query (leader) PDB : 2AHR; Ligand: NAP; Similar sites found with APoc: 49
This union binding pocket(no: 6) in the query (biounit: 2ahr.bio3) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 5G6U YJM 1.1583
2 5GSN NAP 1.5444
3 5ZYN FAD 1.9305
4 1U3U NAD 1.9305
5 1U3U BNF 1.9305
6 1D4D FAD 2.3166
7 6AIN FAD 2.3166
8 5EOW FAD 2.3166
9 1TDF NAP 2.3166
10 4JDR FAD 2.7027
11 3RNM FAD 2.7027
12 5X68 FAD 2.7027
13 3CTY FAD 2.82132
14 2RI1 GLP 2.97872
15 6GAS FAD 3.0888
16 4J36 1HR 3.4749
17 1NAA 6FA 3.4749
18 4J36 FAD 3.4749
19 4K5S FAD 3.4749
20 4K5S PM0 3.4749
21 2YIP YIO 3.62319
22 1K3T BRZ 3.861
23 1WTC ACP 3.861
24 2QRK AMP 3.861
25 1PN0 FAD 4.6332
26 1PN0 IPH 4.6332
27 3AD8 PYC 4.92611
28 3AD8 FAD 4.92611
29 4D04 FAD 5.01931
30 4D04 NAP 5.01931
31 3UOY NAP 5.40541
32 3UOY FAD 5.40541
33 4C3Y ANB 5.40541
34 5Y77 FAD 6.17761
35 3AB1 FAD 6.17761
36 3LAD FAD 6.56371
37 3ITJ CIT 7.33591
38 4RP9 ASC 7.72201
39 1RDL MMA 7.9646
40 4JNA FAD 8.49421
41 4BJZ P3A 8.88031
42 4BJZ FAD 8.88031
43 2CDU FAD 9.26641
44 4USQ FAD 9.26641
45 5YB7 FAD 10.8108
46 5YB7 ORN 10.8108
47 2GMH FAD 11.9691
48 5J7X FAD 11.9691
49 2F5Z FAD 14.0625
Pocket No.: 7; Query (leader) PDB : 2AHR; Ligand: NAP; Similar sites found with APoc: 2
This union binding pocket(no: 7) in the query (biounit: 2ahr.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 5I34 GDP 3.861
2 1KJ8 GAR 4.6332
Pocket No.: 8; Query (leader) PDB : 2AHR; Ligand: NAP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2ahr.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2AHR; Ligand: NAP; Similar sites found with APoc: 1
This union binding pocket(no: 9) in the query (biounit: 2ahr.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 5HV7 RBL 0.772201
Pocket No.: 10; Query (leader) PDB : 2AHR; Ligand: NAP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 2ahr.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 2AHR; Ligand: NAP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 2ahr.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 2AHR; Ligand: NAP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 2ahr.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 2AHR; Ligand: NAP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 2ahr.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 2AHR; Ligand: NAP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 2ahr.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 2AHR; Ligand: NAP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 2ahr.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 2AHR; Ligand: NAP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 2ahr.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
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