Receptor
PDB id Resolution Class Description Source Keywords
1QMG 1.6 Å EC: 1.1.1.86 ACETOHYDROXYACID ISOMEROREDUCTASE COMPLEXED WITH ITS REACTION PRODUCT DIHYDROXY-METHYLVALERATE, MANGANESE AND A DP-RIBOSE. SPINACIA OLERACEA OXIDOREDUCTASE BRANCHED CHAIN AMINO ACID BIOSYNTHESIS REACTION PRODUCT MANGANESE ADP-RIBOSE
Ref.: STRUCTURE OF SPINACH ACETOHYDROXYACID ISOMEROREDUCTASE COMPLEXED WITH ITS PRODUCT OF REACTION DIHYDROXY-METHYLVALERATE, MANGANESE AND ADP-RIBOSE ACTA CRYSTALLOGR.,SECT.D V. 56 389 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
APX A:600;
B:600;
C:600;
D:600;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
644.335 C15 H29 N5 O17 P3 c1nc2...
DMV A:620;
B:620;
C:620;
D:620;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
148.157 C6 H12 O4 CC[C@...
MN A:601;
A:602;
B:601;
B:602;
C:601;
C:602;
D:601;
D:602;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
SO4 A:603;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QMG 1.6 Å EC: 1.1.1.86 ACETOHYDROXYACID ISOMEROREDUCTASE COMPLEXED WITH ITS REACTION PRODUCT DIHYDROXY-METHYLVALERATE, MANGANESE AND A DP-RIBOSE. SPINACIA OLERACEA OXIDOREDUCTASE BRANCHED CHAIN AMINO ACID BIOSYNTHESIS REACTION PRODUCT MANGANESE ADP-RIBOSE
Ref.: STRUCTURE OF SPINACH ACETOHYDROXYACID ISOMEROREDUCTASE COMPLEXED WITH ITS PRODUCT OF REACTION DIHYDROXY-METHYLVALERATE, MANGANESE AND ADP-RIBOSE ACTA CRYSTALLOGR.,SECT.D V. 56 389 2000
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1QMG - DMV C6 H12 O4 CC[C@](C)(....
2 1YVE - HIO C5 H9 N O4 CC(C)N(C(=....
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 1QMG - DMV C6 H12 O4 CC[C@](C)(....
2 1YVE - HIO C5 H9 N O4 CC(C)N(C(=....
50% 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 1QMG - DMV C6 H12 O4 CC[C@](C)(....
2 1YVE - HIO C5 H9 N O4 CC(C)N(C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: APX; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 APX 1 1
2 A2R 0.553398 0.921053
3 ENP 0.527778 0.884615
4 A22 0.45045 0.896104
5 NA7 0.447368 0.873418
6 ATR 0.439252 0.881579
7 NJP 0.423077 0.886076
8 NDP 0.407692 0.841463
9 NPW 0.407692 0.811765
10 AR6 0.40367 0.907895
11 APR 0.40367 0.907895
Ligand no: 2; Ligand: DMV; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 DMV 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1QMG; Ligand: DMV; Similar sites found: 39
This union binding pocket(no: 1) in the query (biounit: 1qmg.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GSA ADP 0.006644 0.43498 1.89873
2 1RJD SAM 0.005554 0.43785 2.09581
3 1MS9 LAT 0.0173 0.41024 2.09924
4 2C49 ANP 0.02893 0.40262 2.31788
5 2BTM PGA 0.01658 0.40004 2.38095
6 3FSM 2NC 0.04961 0.40276 2.46305
7 2X5W K2B 0.0111 0.43023 2.5
8 4W6Z 8ID 0.04626 0.40497 2.59366
9 1S9A BEZ 0.007789 0.41695 2.72374
10 2B3D FAD 0.02074 0.40982 2.94118
11 3FD5 AP2 0.004409 0.43646 3.29949
12 5CMK GLU 0.00934 0.43375 3.4749
13 1U7Z PMT 0.03043 0.41155 3.53982
14 5VZ0 ADP 0.01524 0.4121 3.62595
15 3N26 ARG 0.00605 0.42353 3.65854
16 2VL8 CTS 0.01528 0.41228 4.19847
17 4O1M NAD 0.03323 0.41085 4.7619
18 2VVT DGL 0.01156 0.40638 4.82759
19 2VVT I24 0.03739 0.40027 4.82759
20 3QCJ NX4 0.0246 0.41265 4.83871
21 5FLJ QUE 0.02436 0.40991 4.83871
22 2VVL FAD 0.04706 0.40677 5.05051
23 2HJR APR 0.0274 0.40633 5.18293
24 4INW 1EY 0.01625 0.40692 5.71429
25 3TW1 AHN 0.00713 0.40959 5.90717
26 4LXH C1E 0.027 0.40039 6.4982
27 4G28 0W8 0.01337 0.40501 8.05369
28 4WYU SER TRP PHE GLN THR ASP LEU 0.01639 0.41151 8.49057
29 3KPB SAM 0.01184 0.41713 9.01639
30 4Q9N NAI 0.04901 0.40187 9.39597
31 1N13 AG2 0.01141 0.40314 9.61539
32 4G31 0WH 0.04675 0.40432 11.3712
33 5XDT MB3 0.003728 0.46348 12.987
34 2QQC AG2 0.01246 0.40018 13.2075
35 4BI7 PGA 0.01104 0.409 14.0078
36 1TID ATP 0.002318 0.45716 15.9664
37 4XV1 904 0.04309 0.40343 16.0959
38 3B8X G4M 0.01447 0.43441 18.4615
39 2FYU FDN 0.009844 0.42209 23.0769
Pocket No.: 2; Query (leader) PDB : 1QMG; Ligand: DMV; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1qmg.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1QMG; Ligand: APX; Similar sites found: 454
This union binding pocket(no: 3) in the query (biounit: 1qmg.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1X87 NAD 0.004908 0.4011 1.14504
2 1F06 2NP 0.0003692 0.46266 1.25
3 1F06 NDP 0.0003692 0.46266 1.25
4 1PJS NAD 0.0005661 0.41597 1.31291
5 5FJN FAD 0.001011 0.45332 1.31579
6 5FJN BE2 0.001185 0.45332 1.31579
7 2DKH FAD 0.002126 0.4291 1.33588
8 2DKH 3HB 0.004465 0.42214 1.33588
9 1KNR FAD 0.01132 0.40556 1.33588
10 3ICT ADP 0.0002925 0.40482 1.33588
11 5VN0 NAI 0.001481 0.40513 1.35135
12 5G3U ITW 0.008121 0.41555 1.41844
13 5G3U FDA 0.006479 0.41411 1.41844
14 4J36 FAD 0.002738 0.42445 1.44578
15 4J36 1HR 0.005461 0.42223 1.44578
16 3L9W AMP 0.00583 0.40807 1.45278
17 3CGD COA 0.005571 0.44299 1.45833
18 3CGD FAD 0.005571 0.44299 1.45833
19 3CGD NAD 0.005571 0.44299 1.45833
20 3CGB FAD 0.003557 0.42427 1.45833
21 1V59 FAD 0.002286 0.44073 1.46444
22 1DXY NAD 0.002281 0.41947 1.5015
23 3QVP FAD 0.006883 0.41781 1.52672
24 3WQQ NDP 0.004826 0.42268 1.63934
25 3WQQ IB3 0.004826 0.42268 1.63934
26 3FWN ATR 0.006092 0.41089 1.66667
27 3LAD FAD 0.003359 0.43053 1.68067
28 4MIG G3F 0.003406 0.43574 1.71756
29 4TXI FAD 0.003986 0.41629 1.71756
30 1PS9 FAD 0.007771 0.41364 1.71756
31 5J7X FAD 0.007834 0.41054 1.71756
32 1Q0H NDP 0.01042 0.41329 1.72414
33 1Q0H FOM 0.01426 0.4056 1.72414
34 1LLU NAD 0.001431 0.43766 1.75439
35 3E1T FAD 0.006775 0.41812 1.75781
36 4E13 NAD 0.00004994 0.4714 1.76678
37 1COY FAD 0.007071 0.41544 1.77515
38 4BVA NDP 0.0004487 0.45486 1.79104
39 4BVA T3 0.003265 0.42697 1.79104
40 2R4J 13P 0.01017 0.41689 1.79641
41 2R4J FAD 0.01017 0.41689 1.79641
42 2BRY FAD 0.001546 0.43495 1.81087
43 2WPF FAD 0.008289 0.44131 1.81818
44 2WPF WPF 0.01088 0.43696 1.81818
45 1MV8 NAD 0.0000921 0.47692 1.83486
46 1MUU NAD 0.0001413 0.46745 1.83486
47 3NYC FAD 0.01313 0.41115 1.83727
48 3NYC IAR 0.01313 0.41115 1.83727
49 5UAV NDP 0.00008005 0.49372 1.86335
50 5UAV TFB 0.00008005 0.49372 1.86335
51 4KP7 NAP 0.007201 0.42043 1.87354
52 4KP7 1UQ 0.007298 0.4167 1.87354
53 1TDF FAD 0.004465 0.42879 1.89873
54 1TDF NAP 0.01101 0.42579 1.89873
55 1Q9I TEO 0.006062 0.42999 1.9084
56 4D04 FAD 0.01061 0.42231 1.9084
57 4D04 NAP 0.01061 0.42231 1.9084
58 1DJN ADP 0.003074 0.40935 1.9084
59 1YQD NAP 0.002602 0.42538 1.91257
60 2CDC XYP 0.01818 0.41276 1.91257
61 2CDC NAP 0.02575 0.40575 1.91257
62 2CDC XYS 0.02575 0.40575 1.91257
63 4J4H NAI 0.009673 0.41391 1.9305
64 4J4H 1J1 0.009673 0.41391 1.9305
65 4JK3 NAD 0.004331 0.40798 1.9305
66 4USQ FAD 0.002792 0.42532 1.93906
67 5EOW FAD 0.00533 0.41336 1.97531
68 4OPC FDA 0.0212 0.42256 1.98676
69 4OPC PGT 0.02421 0.42256 1.98676
70 2GSD NAD 0.003807 0.42076 1.99005
71 3G5S FAD 0.002557 0.43045 2.0316
72 5EZ7 FAD 0.008419 0.41019 2.04082
73 3B1J NAD 0.002744 0.42048 2.0649
74 3B20 NAD 0.002312 0.41605 2.0649
75 3B1F NAD 0.002187 0.41136 2.06897
76 5U8U FAD 0.007762 0.42982 2.079
77 5M67 3D1 0.002839 0.43926 2.08768
78 5M67 NAD 0.003353 0.43604 2.08768
79 5M67 ADE 0.004193 0.43172 2.08768
80 2AQJ TRP 0.008097 0.425 2.09924
81 2AQJ FAD 0.008384 0.425 2.09924
82 4XQC 13D 0.000118 0.49635 2.10526
83 4XQC NAD 0.0001117 0.49626 2.10526
84 4JDR FAD 0.005175 0.42135 2.1097
85 1CER NAD 0.001308 0.40876 2.1148
86 2E5V FAD 0.002504 0.43709 2.11864
87 1RSG FAD 0.006348 0.41843 2.13178
88 1YY5 FAD 0.006335 0.4203 2.14425
89 4M52 FAD 0.005322 0.42178 2.14592
90 2A8X FAD 0.006495 0.41892 2.15517
91 1VQW FAD 0.007675 0.40546 2.18818
92 3AB1 FAD 0.004949 0.42121 2.22222
93 1SC6 NAD 0.002752 0.42308 2.22772
94 3AXB FAD 0.004364 0.42045 2.23214
95 3AXB PRO 0.005708 0.42045 2.23214
96 2GV8 FAD 0.007571 0.40686 2.23714
97 2GVC FAD 0.007791 0.40518 2.23714
98 5HSA FAS 0.002225 0.43734 2.29008
99 2RGH FAD 0.005068 0.42076 2.29008
100 3H9E NAD 0.003095 0.414 2.31214
101 1RYI FAD 0.00297 0.43187 2.35602
102 1RYI GOA 0.04259 0.40743 2.35602
103 3V1Y NAD 0.001197 0.43102 2.37389
104 1N4W FAD 0.0138 0.40452 2.38095
105 1DSS NAD 0.0009996 0.43261 2.4024
106 1CDO NAD 0.005069 0.40516 2.40642
107 1J0X NAD 0.001941 0.44194 2.40964
108 1QO8 FAD 0.003123 0.43192 2.48092
109 1EZ4 NAD 0.005031 0.4053 2.51572
110 3T31 DCQ 0.003307 0.44191 2.51716
111 3T31 FAD 0.003059 0.44191 2.51716
112 5FI3 NAP 0.002229 0.42426 2.52101
113 1BXG NAD 0.002287 0.41943 2.52809
114 3NJ4 NAD 0.0218 0.42777 2.52874
115 3NJ4 AFX 0.02191 0.42767 2.52874
116 1LDN NAD 0.002846 0.42117 2.53165
117 5H81 NAP 0.00105 0.42413 2.57069
118 1WPQ NAD 0.0006345 0.43716 2.5788
119 1GUZ NAD 0.003329 0.41559 2.58065
120 2XVF FAD 0.005111 0.4175 2.58621
121 4W6Z 8ID 0.0009642 0.44745 2.59366
122 3JUC PCA 0.003272 0.44894 2.61438
123 2YYY NAP 0.0005441 0.44834 2.62391
124 2VHW NAI 0.002236 0.4318 2.65252
125 2EV9 NAP 0.00503 0.41203 2.6616
126 2EV9 SKM 0.00503 0.41203 2.6616
127 1E5Q NDP 0.0002854 0.46 2.66667
128 5WGR FAD 0.001374 0.4454 2.67176
129 3UOY FAD 0.005867 0.43668 2.67176
130 3UOY NAP 0.005867 0.43668 2.67176
131 4FWE FAD 0.006234 0.4197 2.67176
132 4K5S PM0 0.008266 0.41859 2.67176
133 4K5S FAD 0.003764 0.41859 2.67176
134 4YNU FAD 0.008324 0.41508 2.67176
135 3Q9T FAY 0.00928 0.40736 2.67176
136 4YNU LGC 0.02074 0.40072 2.67176
137 1BZL FAD 0.01032 0.43719 2.6749
138 1MO9 KPC 0.004998 0.44629 2.67686
139 1MO9 FAD 0.00698 0.43893 2.67686
140 3L4S NAD 0.00733 0.40511 2.67857
141 3L4S 3PG 0.007819 0.40511 2.67857
142 5I39 FAD 0.001437 0.44235 2.69608
143 1V8B NAD 0.001193 0.44349 2.71399
144 5GZ6 NDP 0.002697 0.40421 2.76074
145 5GZ6 7C3 0.004981 0.40084 2.76074
146 1WP4 NDP 0.001121 0.43376 2.76817
147 2CVZ NDP 0.002299 0.41933 2.76817
148 2XVE FAD 0.0117 0.41905 2.80172
149 1PL6 572 0.006011 0.40875 2.80899
150 1A5Z NAD 0.002705 0.40762 2.82132
151 1E1M FAD 0.004954 0.43171 2.82609
152 1E1M NAP 0.004954 0.43171 2.82609
153 2C7G FAD 0.006237 0.42871 2.85088
154 2C7G ODP 0.01066 0.41745 2.85088
155 1SAY PYR 0.006243 0.41043 2.8626
156 5EB4 FAD 0.01014 0.40765 2.8626
157 2ZXI FAD 0.00866 0.40763 2.8626
158 2NVK FAD 0.001207 0.44892 2.86885
159 2DFV NAD 0.003875 0.41144 2.88184
160 3LXD FAD 0.004545 0.41747 2.89157
161 1GV0 NAD 0.005248 0.40869 2.90323
162 3GD4 NAD 0.001419 0.469 2.93542
163 3GD4 FAD 0.0008677 0.469 2.93542
164 2WET FAD 0.003218 0.43035 2.93542
165 4JNA FAD 0.004318 0.42576 2.94118
166 3WBF NAP 0.0002949 0.45941 2.95082
167 3WBF API 0.0007113 0.44923 2.95082
168 5UAO FAD 0.008936 0.40807 2.95749
169 5KMS NAD 0.001504 0.45817 2.96296
170 5KMS FAD 0.009372 0.4051 2.96296
171 4GKV NAD 0.0006545 0.4521 2.97619
172 4XB2 HSE 0.0006567 0.44933 2.98507
173 4XB2 NDP 0.0003179 0.44933 2.98507
174 4PLG NAI 0.004549 0.41968 2.99401
175 4RPL FAD 0.02689 0.40429 3.00752
176 2VYN NAD 0.0009055 0.43914 3.02115
177 4D7E FAD 0.002419 0.43034 3.0303
178 1GAD NAD 0.00457 0.40702 3.0303
179 4BV6 FAD 0.001468 0.44521 3.0426
180 1RM0 NAI 0.00131 0.45139 3.05344
181 1RM0 D6P 0.001854 0.44748 3.05344
182 1GTE FAD 0.002835 0.44715 3.05344
183 4MOP 2H5 0.005784 0.42791 3.05344
184 4EIP K2C 0.01012 0.41303 3.05344
185 4EIP FAD 0.01012 0.41303 3.05344
186 2Z3Y F2N 0.009306 0.41205 3.05344
187 1LTH NAD 0.005493 0.40071 3.1348
188 2JHF NAD 0.005899 0.46004 3.20856
189 1U3U BNF 0.00578 0.42021 3.20856
190 1U3U NAD 0.00578 0.42021 3.20856
191 1D1T NAD 0.002781 0.42289 3.21716
192 5MQ6 NDP 0.002012 0.41682 3.24427
193 1GQ2 NAP 0.003467 0.41486 3.24427
194 3ITJ FAD 0.003798 0.43363 3.25444
195 1XHC FAD 0.005344 0.41558 3.26975
196 4ZCC FAD 0.01731 0.40575 3.27381
197 4ZCC NAI 0.01731 0.40575 3.27381
198 3HDY GDU 0.03025 0.40132 3.27456
199 3HDY FDA 0.02936 0.40132 3.27456
200 1YJQ NAP 0.001435 0.43633 3.30033
201 4BJZ P3A 0.01222 0.4237 3.30189
202 2NAD NAD 0.003838 0.42061 3.30789
203 5T9F TYR 0.00028 0.47173 3.32103
204 5T9F NAP 0.0002863 0.47003 3.32103
205 5T9E NAP 0.0003997 0.45065 3.32103
206 1PZG A3D 0.005201 0.41717 3.32326
207 2HQM FAD 0.001665 0.44385 3.34029
208 3CIF NAD 0.001904 0.4257 3.34262
209 3CIF G3H 0.008339 0.40619 3.34262
210 2V3A FAD 0.00524 0.41809 3.38542
211 1YB5 NAP 0.01054 0.40073 3.4188
212 3H8V ATP 0.0009994 0.41007 3.42466
213 1YQZ FAD 0.02312 0.40485 3.42466
214 3C1O NAP 0.0002368 0.45642 3.42679
215 4EDF UPG 0.01723 0.40355 3.4413
216 3TWO NDP 0.001902 0.43363 3.44828
217 2CUL FAD 0.003485 0.42239 3.44828
218 3A06 FOM 0.001774 0.43611 3.45745
219 3A06 NDP 0.001556 0.43611 3.45745
220 2QZZ EMF 0.0001813 0.48111 3.45912
221 2QZZ NAP 0.0001693 0.48111 3.45912
222 3K7M FAD 0.005692 0.429 3.48028
223 1DLJ NAI 0.0006747 0.46793 3.48259
224 1DLJ UGA 0.0006936 0.46739 3.48259
225 2X3N FAD 0.008443 0.4081 3.50877
226 1RP0 AHZ 0.001733 0.43156 3.52113
227 4NTD FAD 0.007345 0.41175 3.52941
228 1ZH8 NAP 0.00489 0.40724 3.52941
229 4HA6 FAD 0.00607 0.42021 3.54331
230 3VPH OXM 0.002773 0.42664 3.54839
231 3VPH NAD 0.003731 0.41875 3.54839
232 1UXG NAD 0.004868 0.41947 3.55987
233 4CNK FAD 0.006371 0.41442 3.58056
234 1H82 FAD 0.01145 0.41675 3.60169
235 1H82 GZZ 0.01357 0.41675 3.60169
236 1J49 NAD 0.002566 0.4203 3.6036
237 5GUD NDP 0.005025 0.41991 3.60934
238 5JWC FAD 0.00282 0.42632 3.62595
239 1NAA 6FA 0.009548 0.41156 3.62595
240 1NAA ABL 0.01387 0.41156 3.62595
241 1EBF NAD 0.004127 0.40578 3.63128
242 2RAB NAD 0.007409 0.43138 3.67171
243 2RAB FAD 0.004092 0.42866 3.67171
244 1REO FAD 0.002913 0.43018 3.7037
245 3OJO NAD 0.0003156 0.44945 3.7123
246 3FG2 FAD 0.002139 0.42898 3.71287
247 2B4R NAD 0.002411 0.42419 3.76812
248 2B4R AES 0.00562 0.40745 3.76812
249 1KOL NAD 0.001418 0.44028 3.76884
250 1N1G BCP 0.002956 0.42545 3.82514
251 1U1I NAD 0.005172 0.41392 3.82653
252 4MP8 NAD 0.001068 0.44674 3.83481
253 4L8V NAP 0.001011 0.43862 3.85757
254 1HYH NAD 0.001157 0.43758 3.8835
255 1E6E FAD 0.005605 0.41469 3.90625
256 1SOW NAD 0.003495 0.4187 3.96341
257 1D4D FAD 0.008711 0.41332 4.00763
258 2Y6Q I7T 0.007204 0.41958 4.0201
259 2Y6Q FAD 0.003331 0.41958 4.0201
260 4X9M FAD 0.008003 0.41213 4.06699
261 2GZ3 NAP 0.01527 0.40668 4.09836
262 3ABI NAD 0.000449 0.45335 4.10959
263 4HXY NDP 0.008094 0.40207 4.10959
264 5X20 NAD 0.0008352 0.43581 4.16667
265 1NVM NAD 0.004179 0.41415 4.16667
266 5TUK FAD 0.006861 0.40114 4.16667
267 1UWK NAD 0.00285 0.43651 4.19847
268 1UWK URO 0.00285 0.43651 4.19847
269 3WE0 FAD 0.01134 0.40828 4.19847
270 5AYV KPL 0.0007051 0.45201 4.20712
271 5AYV NAP 0.0004636 0.44268 4.20712
272 2O4C NAD 0.004573 0.4125 4.21053
273 9LDB NAD 0.004497 0.41281 4.21687
274 9LDT NAD 0.004955 0.41104 4.21687
275 1KEV NDP 0.004475 0.4166 4.2735
276 3OZ2 FAD 0.009128 0.40964 4.28212
277 3RC1 NAP 0.009163 0.40657 4.28571
278 3RC1 TLO 0.01023 0.40129 4.28571
279 2FZW NAD 0.01115 0.40859 4.28954
280 1O6Z NAD 0.004477 0.40433 4.29043
281 3F8D FAD 0.00745 0.43369 4.33437
282 1D7O NAD 0.01089 0.40333 4.3771
283 4G74 UQ5 0.004892 0.4279 4.38247
284 4G74 FAD 0.002758 0.4279 4.38247
285 3CTY FAD 0.003651 0.43084 4.38871
286 5MBX FAD 0.009266 0.4202 4.42656
287 5MBX SP5 0.009266 0.4202 4.42656
288 1H2B NAJ 0.002334 0.42738 4.45682
289 4D3F NAP 0.0005859 0.43386 4.51613
290 2BKA NDP 0.005039 0.40809 4.54545
291 1YKJ FAD 0.003577 0.44394 4.56853
292 1YKJ PHB 0.003577 0.44394 4.56853
293 3GMB FAD 0.00642 0.40992 4.57831
294 5JE8 NAD 0.002257 0.40464 4.63576
295 2YG3 FAD 0.01257 0.40358 4.63576
296 5JCM FAD 0.003701 0.44394 4.65632
297 5JCM NAD 0.003827 0.44394 4.65632
298 5JCM ISD 0.003827 0.44394 4.65632
299 1BW9 NAD 0.001658 0.42361 4.77528
300 5CAE SIN 0.005901 0.4103 4.79233
301 5CAE COA 0.003834 0.40709 4.79233
302 2ZJ1 NAD 0.00182 0.44958 4.84848
303 2ZJ1 ARJ 0.002299 0.44505 4.84848
304 5TTJ FAD 0.007424 0.41256 4.96183
305 1LSS NAD 0.001108 0.41819 5
306 5A04 BGC 0.0014 0.46185 5.01475
307 5A04 NDP 0.001151 0.46185 5.01475
308 3IHG FAD 0.002014 0.42469 5.04673
309 2VVL FAD 0.01481 0.40138 5.05051
310 5BSH PRO 0.002133 0.42775 5.05415
311 2Q0L FAD 0.004359 0.42461 5.14469
312 1PN0 FAD 0.00504 0.42732 5.15267
313 1PN0 IPH 0.005265 0.42732 5.15267
314 2HJR APR 0.003114 0.40912 5.18293
315 3S5W FAD 0.002978 0.42034 5.18359
316 3ZNN FAD 0.01516 0.41191 5.18732
317 3ZNN 4WL 0.01516 0.41191 5.18732
318 4TM3 FAD 0.006536 0.43513 5.19187
319 5MZI FYK 0.002363 0.45075 5.20607
320 5MZI FAD 0.005002 0.43521 5.20607
321 5DN9 NAD 0.005721 0.41087 5.21978
322 1HDR NAD 0.009201 0.41651 5.32787
323 1Q1R FAD 0.007178 0.41114 5.33643
324 4OOE FOM 0.003925 0.44899 5.34351
325 4OOE NDP 0.003925 0.44899 5.34351
326 2IVD FAD 0.005811 0.41402 5.43933
327 4YCA NDP 0.0005061 0.42404 5.44218
328 1LDM NAD 0.00636 0.4052 5.47112
329 2RGJ FAD 0.004957 0.41352 5.47264
330 2DC1 NAD 0.002613 0.41853 5.50847
331 5VKT NAP 0.001542 0.43095 5.52486
332 4AP3 FAD 0.0076 0.42762 5.53435
333 4AP3 NAP 0.0076 0.42762 5.53435
334 1P0F NAP 0.001997 0.42896 5.63003
335 4NTC FAD 0.006155 0.41807 5.67164
336 3KB6 NAD 0.004401 0.40914 5.68862
337 5L95 AMP 0.001285 0.4109 5.73477
338 2CDU ADP 0.0001087 0.44099 5.75221
339 2CDU FAD 0.008993 0.40587 5.75221
340 5BUK FAD 0.002228 0.44028 5.77778
341 1K3T BRZ 0.008146 0.40436 5.84958
342 4RQU NAD 0.001239 0.43347 5.86667
343 1WDK NAD 0.0002716 0.4521 5.91603
344 3UCL NAP 0.006455 0.43538 5.91603
345 3UCL CYH 0.007764 0.42981 5.91603
346 3UCL FAD 0.007764 0.42981 5.91603
347 1RM4 NDP 0.002018 0.42318 5.93472
348 2DBZ NAP 0.002527 0.42058 5.98802
349 2D2I NAP 0.00451 0.40421 6.05263
350 5U5G NAP 0.0008287 0.44074 6.1017
351 2F5Z FAD 0.002881 0.43442 6.11814
352 1ZMD NAI 0.00155 0.41033 6.11814
353 2YVJ FAD 0.001644 0.43869 6.12745
354 2YVF FAD 0.004498 0.43802 6.12745
355 2YVF NAD 0.004903 0.437 6.12745
356 2YVJ NAI 0.001533 0.4043 6.12745
357 3KLJ FAD 0.001244 0.43896 6.23377
358 1LUA NAP 0.001412 0.41569 6.27178
359 1FEC FAD 0.002919 0.43696 6.32653
360 5BVA FAD 0.00209 0.4415 6.35697
361 4ZGS NAD 0.001559 0.42304 6.47668
362 1NVT NAP 0.0003792 0.44808 6.62021
363 4Z24 FAD 0.00893 0.41193 6.67939
364 3WLE NAD 0.006139 0.41299 6.74487
365 1OMO NAD 0.001576 0.42284 6.8323
366 1X7D ORN 0.002268 0.43268 6.85714
367 1X7D NAD 0.001401 0.43125 6.85714
368 1M2W NAD 0.004555 0.40241 7.09939
369 3SQP FAD 0.02656 0.43367 7.11297
370 1Z82 NDP 0.0004208 0.42223 7.16418
371 3OND NAD 0.002857 0.43826 7.17213
372 3OND ADN 0.002857 0.43826 7.17213
373 5J60 FAD 0.004093 0.4248 7.1875
374 1I0Z NAI 0.00432 0.41223 7.20721
375 3LZW NAP 0.00773 0.42591 7.22892
376 3LZW FAD 0.003454 0.42591 7.22892
377 4GUT FAD 0.005935 0.42331 7.25806
378 1KYQ NAD 0.0000775 0.44877 7.29927
379 2PV7 NAD 0.0003363 0.45542 7.38255
380 1H6C SIN 0.0001665 0.48396 7.3903
381 1H6C NDP 0.0002525 0.47365 7.3903
382 4RSL FAD 0.007845 0.40842 7.41573
383 5ODQ FAD 0.00373 0.42854 7.56014
384 2NU8 COA 0.001334 0.42908 7.63889
385 1GXU 2HP 0.001096 0.4552 7.69231
386 1T26 NAI 0.009984 0.40981 7.76398
387 1VDC FAD 0.005977 0.42403 7.80781
388 1I36 NAP 0.00006046 0.47856 7.95455
389 4UP3 FAD 0.002155 0.43691 7.96178
390 1JAY NAP 0.0001998 0.45327 8.01887
391 3WGT QSC 0.009376 0.41615 8.06916
392 3WGT FAD 0.00899 0.41615 8.06916
393 3I6I NDP 0.0002193 0.47755 8.09249
394 5JCA NDP 0.01217 0.41892 8.09859
395 5JCA FAD 0.006246 0.41874 8.09859
396 1GET NAP 0.007079 0.43352 8.22222
397 1GET FAD 0.007451 0.43127 8.22222
398 4YSX FAD 0.007352 0.41373 8.33333
399 1NYT NAP 0.0001533 0.466 8.48709
400 1GR0 NAD 0.001808 0.43333 8.71935
401 4J56 FAD 0.005144 0.42429 8.77193
402 3AYI HCI 0.02348 0.4012 8.77863
403 3AYI FAD 0.02266 0.4012 8.77863
404 4EMI NAD 0.001596 0.45852 9.02439
405 4EMI FAD 0.006103 0.41523 9.02439
406 4EMJ FAD 0.006537 0.41496 9.02439
407 1ZK7 FAD 0.0008044 0.46073 9.42184
408 2HK9 NAP 0.0003781 0.45164 9.45455
409 2HK9 ATR 0.00005929 0.42978 9.45455
410 3ORF NAD 0.00712 0.40183 9.56175
411 3WV8 ATP 0.0006623 0.4224 9.63303
412 2HMT NAI 0.0008645 0.42737 9.72222
413 1O94 ADP 0.002593 0.41402 9.84848
414 3CMC NAD 0.01189 0.42188 9.88024
415 5N2I NAP 0.0001136 0.45793 9.91379
416 1GPE FAD 0.006729 0.42003 9.92366
417 2DT5 NAD 0.0003196 0.45795 9.95261
418 3GGO NAI 0.00223 0.4373 10.1911
419 3GGO ENO 0.00223 0.4373 10.1911
420 3RYC GTP 0.006163 0.40705 10.4895
421 4ZVV GN0 0.0062 0.43097 10.5422
422 4ZVV NAD 0.0062 0.43097 10.5422
423 1VI2 NAD 0.001634 0.41648 10.6667
424 5JY6 NAD 0.01115 0.41357 10.6742
425 5LD5 NAD 0.004035 0.40455 10.8939
426 2V3B FAD 0.006856 0.412 10.9091
427 1FL2 FAD 0.00169 0.44041 10.9677
428 3QV1 NAD 0.00393 0.40822 10.9756
429 1NPD NAD 0.001452 0.42429 11.1111
430 2G5C NAD 0.0006978 0.44535 11.3879
431 4E5N NAD 0.003371 0.41808 13.0303
432 2GAG NAD 0.002885 0.42819 13.1313
433 2GAG FOA 0.0104 0.41167 13.1313
434 2GAG FAD 0.0104 0.41167 13.1313
435 3HAD NAD 0.000565 0.47042 13.3117
436 2GN4 UD1 0.03807 0.41255 13.3721
437 2GN4 NDP 0.03793 0.41148 13.3721
438 1RYD NDP 0.0002051 0.47753 13.9535
439 1J5P NAD 0.003155 0.41514 14.6245
440 2F1K NAP 0.0001044 0.47468 14.6953
441 2Q7V FAD 0.002242 0.4372 15.0769
442 3QFA FAD 0.001224 0.44969 16.3793
443 3AD8 NAD 0.004276 0.41743 17.1717
444 3AD8 PYC 0.01771 0.41389 17.1717
445 3AD8 FAD 0.01771 0.41389 17.1717
446 4YRY NAD 0.00906 0.41991 17.7536
447 4YRY FAD 0.008533 0.4128 17.7536
448 3RNM FAD 0.002652 0.436 18.9655
449 1CF2 NAP 0.00002916 0.49749 18.9911
450 1HDO NAP 0.00349 0.42119 19.4175
451 2VOH CIT 0.0007765 0.50912 23.0769
452 1JNR FAD 0.006128 0.43938 26
453 4GUS FAD 0.004192 0.4282 33.3333
454 4HSU FAD 0.005873 0.42175 40
Pocket No.: 4; Query (leader) PDB : 1QMG; Ligand: APX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1qmg.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1QMG; Ligand: APX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1qmg.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1QMG; Ligand: DMV; Similar sites found: 11
This union binding pocket(no: 6) in the query (biounit: 1qmg.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5K8P 6R8 0.0153 0.40023 1.88235
2 1QDS PGA 0.01155 0.41079 2.39044
3 2WET FAD 0.03207 0.42054 2.93542
4 1GTE FMN 0.03401 0.40835 3.05344
5 1GTE IUR 0.03401 0.40835 3.05344
6 4YMZ 13P 0.01203 0.40781 3.18725
7 1ZBQ NAD 0.04665 0.40116 3.66972
8 1QM5 GLC GLC GLC PO4 SGC GLC 0.0234 0.41687 4.58015
9 3IAE D7K 0.02484 0.41672 4.77099
10 3KRR DQX 0.04892 0.41949 5.08475
11 2VT3 ATP 0.01568 0.40065 12.5581
Pocket No.: 7; Query (leader) PDB : 1QMG; Ligand: DMV; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1qmg.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1QMG; Ligand: APX; Similar sites found: 13
This union binding pocket(no: 8) in the query (biounit: 1qmg.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1U9L ASN ARG PRO ILE LEU SER LEU 0.003037 0.46484 None
2 1COY AND 0.01661 0.40763 1.77515
3 1HKU NAD 0.0006894 0.40734 2.23464
4 4JBI NDP 0.003724 0.4062 2.7027
5 1I2B NAD 0.02264 0.40024 3.21782
6 4D42 W0I 0.01126 0.41076 3.90071
7 4D42 NAP 0.01126 0.41076 3.90071
8 1V6A TRE 0.0304 0.40474 4.21687
9 4K28 NAD 0.004347 0.40349 5.57621
10 2C29 NAP 0.0126 0.40368 5.63798
11 3BAZ NAP 0.0032 0.40294 6.00601
12 1R37 NAD 0.006757 0.40619 8.64553
13 1TV5 ORO 0.02842 0.40723 9.93228
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