Receptor
PDB id Resolution Class Description Source Keywords
4DPL 1.9 Å EC: 1.2.1.75 STRUCTURE OF MALONYL-COENZYME A REDUCTASE FROM CRENARCHAEOTA COMPLEX WITH NADP SULFOLOBUS TOKODAII DINUCLEOTIDE BINDING DIMERIZATION DOMAIN REDUCTASE NADP OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR A BISPECIFIC NADP+ AND COA BIN IN AN ARCHAEAL MALONYL-COENZYME A REDUCTASE. J.BIOL.CHEM. V. 288 6363 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP C:401;
A:401;
B:401;
D:401;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
UNL B:402;
A:402;
D:402;
C:402;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
n/a NULL NULL
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4DPL 1.9 Å EC: 1.2.1.75 STRUCTURE OF MALONYL-COENZYME A REDUCTASE FROM CRENARCHAEOTA COMPLEX WITH NADP SULFOLOBUS TOKODAII DINUCLEOTIDE BINDING DIMERIZATION DOMAIN REDUCTASE NADP OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR A BISPECIFIC NADP+ AND COA BIN IN AN ARCHAEAL MALONYL-COENZYME A REDUCTASE. J.BIOL.CHEM. V. 288 6363 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4DPL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4DPL - 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 4 families.
1 4DPL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1YS4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAP; Similar ligands found: 127
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 NAD IBO 0.688 0.921053
10 NHD 0.68254 0.958904
11 NJP 0.661417 0.972973
12 NAJ PYZ 0.659091 0.898734
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 NXX 0.619048 0.959459
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 AMP NAD 0.571429 0.933333
23 NAJ 0.567164 0.986111
24 A2R 0.563025 0.932432
25 NDC 0.561644 0.922078
26 NA7 0.552846 0.907895
27 ODP 0.551471 0.935065
28 A2P 0.539823 0.930556
29 8ID 0.537313 0.910256
30 NAD BBN 0.525974 0.865854
31 NPW 0.525547 0.8875
32 CNA 0.521739 0.959459
33 NZQ 0.521739 0.910256
34 NAD CJ3 0.519231 0.835294
35 NDP 0.514493 0.922078
36 PO4 PO4 A A A A PO4 0.503937 0.930556
37 DG1 0.503401 0.922078
38 1DG 0.503401 0.922078
39 NAD TDB 0.5 0.696078
40 TXP 0.5 0.922078
41 NMN AMP PO4 0.492958 0.921053
42 XNP 0.492958 0.875
43 25L 0.492308 0.958904
44 25A 0.492063 0.972222
45 NAD NDT 0.490909 0.747368
46 NMN 0.486726 0.888889
47 NGD 0.485714 0.935065
48 2AM 0.477876 0.891892
49 ADP 0.458333 0.945205
50 PAP 0.451613 0.931507
51 ADP MG 0.45082 0.906667
52 BEF ADP 0.447154 0.883117
53 ADP BEF 0.447154 0.883117
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 ADP PO3 0.44 0.944444
57 SAP 0.44 0.896104
58 AGS 0.44 0.896104
59 M33 0.439024 0.906667
60 AR6 AR6 0.438849 0.945205
61 BA3 0.438017 0.945205
62 ATP MG 0.436508 0.906667
63 ADP BMA 0.43609 0.92
64 OAD 0.43609 0.92
65 ATP 0.435484 0.945205
66 OOB 0.435115 0.958904
67 B4P 0.434426 0.945205
68 AP5 0.434426 0.945205
69 GAP 0.433071 0.92
70 0WD 0.432432 0.922078
71 5FA 0.432 0.945205
72 2A5 0.432 0.87013
73 AQP 0.432 0.945205
74 00A 0.428571 0.909091
75 CA0 0.427419 0.92
76 ALF ADP 0.426357 0.871795
77 ADP ALF 0.426357 0.871795
78 ACP 0.424 0.92
79 NAJ PZO 0.423841 0.897436
80 9SN 0.423358 0.897436
81 VO4 ADP 0.423077 0.932432
82 ANP MG 0.423077 0.896104
83 ADP VO4 0.423077 0.932432
84 WAQ 0.422222 0.884615
85 ACQ 0.421875 0.92
86 V3L 0.421875 0.945205
87 ADQ 0.421053 0.92
88 AR6 0.420635 0.918919
89 APR 0.420635 0.918919
90 ATP A A A 0.42029 0.958333
91 CO7 0.419753 0.786517
92 1ZZ 0.419118 0.841463
93 3OD 0.419118 0.92
94 DLL 0.41791 0.958904
95 AD9 0.417323 0.92
96 NAX 0.416667 0.875
97 OVE 0.416667 0.857143
98 MYR AMP 0.416058 0.841463
99 AV2 0.415385 0.868421
100 A3P 0.414634 0.944444
101 NNR 0.414414 0.72973
102 ALF ADP 3PG 0.413793 0.8625
103 OMR 0.413793 0.831325
104 LA8 ALF 3PG 0.413793 0.8625
105 ANP 0.410853 0.92
106 A1R 0.410448 0.860759
107 ABM 0.409836 0.893333
108 AMP 0.408333 0.944444
109 A 0.408333 0.944444
110 SON 0.408 0.933333
111 PPS 0.407692 0.829268
112 5AL 0.407692 0.932432
113 TYR AMP 0.407143 0.933333
114 NAI 0.406897 0.909091
115 7D3 0.406504 0.857143
116 DAL AMP 0.406015 0.932432
117 ADX 0.404762 0.829268
118 ATF 0.40458 0.907895
119 3UK 0.404412 0.945946
120 AMP DBH 0.404255 0.894737
121 139 0.402685 0.875
122 AMP MG 0.401639 0.893333
123 50T 0.401575 0.906667
124 SRP 0.401515 0.907895
125 A A 0.40146 0.972222
126 FA5 0.4 0.933333
127 3AM 0.4 0.90411
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4DPL; Ligand: NAP; Similar sites found: 610
This union binding pocket(no: 1) in the query (biounit: 4dpl.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4D3F NAP 0.00004758 0.4439 0.967742
2 5F5N NAD 0.001237 0.40694 1.03806
3 1YKJ PHB 0.005014 0.42143 1.39276
4 1YKJ FAD 0.005014 0.42143 1.39276
5 3UCL NAP 0.009692 0.4126 1.39276
6 4OPC PGT 0.02394 0.40984 1.39276
7 4OPC FDA 0.02193 0.40873 1.39276
8 3UCL FAD 0.01098 0.4085 1.39276
9 3UCL CYH 0.01098 0.4085 1.39276
10 1SB8 UD2 0.004215 0.41796 1.42045
11 1SB8 NAD 0.003712 0.41687 1.42045
12 1R37 NAD 0.0002118 0.45139 1.44092
13 1M2W NAD 0.0001507 0.47317 1.67131
14 1T26 NAI 0.0001475 0.46766 1.67131
15 1RYD NDP 0.0002784 0.4508 1.67131
16 1LJ8 NAD 0.0001268 0.42709 1.67131
17 2YG3 FAD 0.001471 0.42609 1.67131
18 5I39 FAD 0.001466 0.42395 1.67131
19 4MO2 FDA 0.002237 0.41568 1.67131
20 4WAS NAP 0.003066 0.40923 1.67131
21 1N9G NAP 0.001025 0.40846 1.67131
22 2BH9 NAP 0.0001434 0.40697 1.67131
23 1UDB NAD 0.006375 0.40986 1.77515
24 1DXY NAD 0.00001728 0.47499 1.8018
25 2A92 NAI 0.0001811 0.4511 1.86916
26 1GV0 NAD 0.00004136 0.47215 1.93548
27 1GUZ NAD 0.00005294 0.46447 1.93548
28 3HAD NAD 0.0005853 0.45005 1.94805
29 2Z3Y F2N 0.0004686 0.4489 1.94986
30 1KOL NAD 0.000369 0.44479 1.94986
31 3AXB PRO 0.002351 0.42013 1.94986
32 3AXB FAD 0.001798 0.41936 1.94986
33 4MIG G3F 0.003587 0.41833 1.94986
34 2B9W FAD 0.004983 0.4173 1.94986
35 2RAB NAD 0.009939 0.41093 1.94986
36 2RAB FAD 0.004479 0.41093 1.94986
37 2V3A FAD 0.003294 0.41024 1.94986
38 3NYC FAD 0.006241 0.41024 1.94986
39 3NYC IAR 0.006241 0.41024 1.94986
40 2V3B FAD 0.003399 0.40862 1.94986
41 3ICT FAD 0.003477 0.40824 1.94986
42 5TUK FAD 0.003097 0.40161 1.94986
43 5KMS NAD 0.01297 0.4016 1.94986
44 3ICR FAD 0.005313 0.40108 1.94986
45 3ICS FAD 0.005957 0.4002 1.94986
46 3GFB NAD 0.002936 0.40768 2
47 1WPQ NAD 0.0008078 0.40681 2.00573
48 3H9E NAD 0.0003913 0.42649 2.02312
49 2YYY NAP 0.001069 0.41649 2.04082
50 3QJ4 FAD 0.0002594 0.40695 2.04678
51 1EDO NAP 0.0001873 0.45055 2.04918
52 3WLE NAD 0.0001238 0.46312 2.05279
53 4XDY NAI 0.0002851 0.4308 2.07101
54 4OHU NAD 0.009273 0.40622 2.07612
55 4OHU 2TK 0.009273 0.40622 2.07612
56 1E7S NAP 0.001803 0.41318 2.18069
57 1VM6 NAD 0.0002649 0.42718 2.19298
58 1NYT NAP 0.0002414 0.42922 2.21402
59 1LDN NAD 0.0003878 0.43708 2.21519
60 2O4C NAD 0.00002864 0.47987 2.22841
61 2VVM FAD 0.0009317 0.43388 2.22841
62 2VVL FAD 0.001067 0.43265 2.22841
63 1VKO NAD 0.0004608 0.42551 2.22841
64 4D04 FAD 0.01112 0.40701 2.22841
65 4D04 NAP 0.01112 0.40701 2.22841
66 3OZ2 FAD 0.005649 0.40313 2.22841
67 1VL8 NAP 0.0006967 0.41434 2.24719
68 1H5Q NAP 0.002041 0.40981 2.26415
69 1DIG L37 0.002718 0.40767 2.28758
70 1DIG NAP 0.002677 0.40665 2.28758
71 1U7T TDT 0.002636 0.41717 2.29885
72 1U7T NAD 0.001788 0.40493 2.29885
73 1EK6 UPG 0.01089 0.40335 2.29885
74 1EK6 NAI 0.0102 0.40308 2.29885
75 3WGT FAD 0.007332 0.40497 2.30548
76 3WGT QSC 0.008077 0.4041 2.30548
77 1E6W NAD 0.0009052 0.42172 2.30769
78 1OAA OAA 0.0009142 0.43739 2.3166
79 2GN4 NDP 0.002398 0.45233 2.32558
80 2GN4 UD1 0.005133 0.43911 2.32558
81 3E1T FAD 0.00665 0.40318 2.34375
82 5DOZ NDP 0.0006631 0.41378 2.36686
83 1XSE NDP 0.0008569 0.4353 2.37288
84 4GLL NAD 0.003944 0.40025 2.37389
85 3LZW FAD 0.002555 0.41454 2.40964
86 3LZW NAP 0.006718 0.41341 2.40964
87 1D1T NAD 0.0002176 0.44807 2.41287
88 5K6A NAP 0.002488 0.40519 2.43056
89 3JQF NAP 0.002517 0.405 2.43056
90 3BMN NAP 0.002761 0.40349 2.43056
91 5JCJ NAP 0.00325 0.40335 2.43056
92 3BMQ NAP 0.00282 0.40314 2.43056
93 5JDC NAP 0.002677 0.40133 2.43056
94 3JQ8 NAP 0.003401 0.40008 2.43056
95 1SOW NAD 0.00006792 0.46728 2.43902
96 1Q7B NAP 0.00233 0.40626 2.45902
97 3WQQ IB3 0.00001141 0.51025 2.50696
98 3WQQ NDP 0.00001141 0.51025 2.50696
99 4KP7 NAP 0.00002565 0.50362 2.50696
100 4KP7 1UQ 0.00002783 0.49751 2.50696
101 1GR0 NAD 0.00008249 0.46709 2.50696
102 5MBX SP5 0.0006601 0.45242 2.50696
103 5MBX FAD 0.0006601 0.45242 2.50696
104 3OJO NAD 0.0000541 0.44438 2.50696
105 5TTJ FAD 0.000546 0.44184 2.50696
106 1RSG FAD 0.0007491 0.43977 2.50696
107 5U8U FAD 0.002864 0.43291 2.50696
108 3SQP FAD 0.02288 0.42392 2.50696
109 3OND NAD 0.002516 0.42366 2.50696
110 3OND ADN 0.002516 0.42366 2.50696
111 2NPX NAD 0.00507 0.41845 2.50696
112 2IVD FAD 0.001784 0.41833 2.50696
113 2NPX FAD 0.001986 0.41769 2.50696
114 1QO8 FAD 0.003689 0.41239 2.50696
115 3UOY FAD 0.01198 0.40812 2.50696
116 3UOY NAP 0.01198 0.40812 2.50696
117 5LD5 NAD 0.0006937 0.40757 2.51397
118 2BGM NAJ 0.0002148 0.43368 2.51799
119 1WMA NDP 0.002335 0.42123 2.53623
120 1WMA AB3 0.002335 0.42123 2.53623
121 3RC1 NAP 0.001944 0.41804 2.57143
122 3RC1 TLO 0.001828 0.4155 2.57143
123 3ZNN FAD 0.01066 0.40443 2.59366
124 3ZNN 4WL 0.01066 0.40443 2.59366
125 2C29 NAP 0.002031 0.42364 2.67062
126 2C29 DQH 0.006241 0.40428 2.67062
127 4B7X NAP 0.002314 0.41034 2.67857
128 4XB2 NDP 0.00003172 0.45202 2.68657
129 4XB2 HSE 0.0001821 0.45101 2.68657
130 2GCG NDP 0.0005042 0.42844 2.72727
131 4XQC 13D 0.00122 0.43341 2.73684
132 4XQC NAD 0.00138 0.4303 2.73684
133 4J7U YTZ 0.0008664 0.43727 2.77778
134 4J7U NAP 0.0008664 0.43727 2.77778
135 1RM0 NAI 0.0001116 0.47585 2.78552
136 2GSD NAD 0.00009561 0.46606 2.78552
137 2QRK AMP 0.0001381 0.46391 2.78552
138 1RM0 D6P 0.0006636 0.44786 2.78552
139 1H2B NAJ 0.0002413 0.44782 2.78552
140 1H6C NDP 0.0003419 0.44734 2.78552
141 1H6C SIN 0.0005102 0.44299 2.78552
142 2CDC XYP 0.003601 0.42875 2.78552
143 2FZW NAD 0.00159 0.42786 2.78552
144 2CDC NAP 0.004391 0.42516 2.78552
145 2CDC XYS 0.004391 0.42516 2.78552
146 3WE0 FAD 0.002114 0.42295 2.78552
147 4EMI NAD 0.006041 0.41671 2.78552
148 5BR7 FAD 0.006505 0.41605 2.78552
149 2HQM FAD 0.003567 0.41297 2.78552
150 4AG5 ADP 0.02795 0.41267 2.78552
151 5BR7 FLC 0.009344 0.40951 2.78552
152 2R4J 13P 0.007968 0.4067 2.78552
153 2R4J FAD 0.007968 0.4067 2.78552
154 1XHC FAD 0.004082 0.40442 2.78552
155 1ZK4 NAP 0.002067 0.41586 2.78884
156 1Z6Z NAP 0.001501 0.41346 2.83688
157 1XKQ NDP 0.0004707 0.43674 2.85714
158 2BD0 NAP 0.000264 0.44489 2.86885
159 3TWO NDP 0.00002314 0.48978 2.87356
160 2FR1 NDP 0.0008661 0.42528 2.88066
161 2DFV NAD 0.0006944 0.4205 2.88184
162 1LLU NAD 0.0001463 0.45755 2.92398
163 3B1J NAD 0.0006363 0.42749 2.94985
164 3B20 NAD 0.0007735 0.41023 2.94985
165 5T9F TYR 0.001406 0.42351 2.95203
166 5T9F NAP 0.001806 0.41813 2.95203
167 5T9E NAP 0.00139 0.40699 2.95203
168 2GDZ NAD 0.00109 0.41868 2.99625
169 9LDB NAD 0.0002377 0.44512 3.01205
170 9LDT NAD 0.0002413 0.44488 3.01205
171 4OSP NAP 0.0008489 0.41976 3.04183
172 5U5G NAP 0.0003948 0.43269 3.05085
173 4YCA NDP 0.0002095 0.45583 3.06122
174 3A06 FOM 0.0000296 0.48713 3.06407
175 3A06 NDP 0.00002537 0.48671 3.06407
176 2IXB A2G 0.0002996 0.45081 3.06407
177 1E5Q NDP 0.0001422 0.44882 3.06407
178 2IXB NAD 0.0002327 0.44547 3.06407
179 1WDK NAD 0.00006605 0.44293 3.06407
180 1MO9 FAD 0.002679 0.44153 3.06407
181 1MO9 KPC 0.002805 0.44124 3.06407
182 2CVQ NDP 0.0005736 0.4258 3.06407
183 1V59 FAD 0.002027 0.42559 3.06407
184 1I2B NAD 0.004025 0.42034 3.06407
185 3T31 DCQ 0.004419 0.42018 3.06407
186 3T31 FAD 0.004279 0.41926 3.06407
187 4RPL 3UC 0.007006 0.41792 3.06407
188 5G3U ITW 0.003028 0.4177 3.06407
189 3AYI FAD 0.004345 0.41743 3.06407
190 3AYI HCI 0.004542 0.41743 3.06407
191 5G3U FDA 0.002308 0.41627 3.06407
192 2ZXI FAD 0.002161 0.41626 3.06407
193 5M67 NAD 0.004166 0.41571 3.06407
194 4RPL FAD 0.007751 0.4142 3.06407
195 5M67 ADE 0.004586 0.41403 3.06407
196 5M67 3D1 0.004663 0.41373 3.06407
197 4MOP 2H5 0.005923 0.41195 3.06407
198 1GTE FAD 0.01123 0.40554 3.06407
199 4J36 1HR 0.006044 0.40483 3.06407
200 4J36 FAD 0.00352 0.40338 3.06407
201 1E3W NAD 0.001196 0.41718 3.06513
202 5J60 FAD 0.002313 0.41837 3.125
203 2Q2V NAD 0.002524 0.4089 3.13725
204 4FN4 NAD 0.001227 0.41675 3.14961
205 1TDF NAP 0.01154 0.41056 3.16456
206 1TDF FAD 0.007154 0.40456 3.16456
207 5JCA NDP 0.01265 0.40403 3.16901
208 5JCA FAD 0.005998 0.40403 3.16901
209 1ORR NAD 0.001736 0.41511 3.17003
210 1HYH NAD 0.0003024 0.44117 3.23625
211 3KB6 NAD 0.0001173 0.44849 3.29341
212 1DRV A3D 0.000003887 0.47547 3.2967
213 5THQ NDP 0.0006685 0.42668 3.30882
214 2DT5 NAD 0.000005498 0.50089 3.31754
215 1WP4 NDP 0.00005741 0.46024 3.34262
216 5VKT NAP 0.0001023 0.45736 3.34262
217 3CTY FAD 0.0006855 0.44338 3.34262
218 4HXY NDP 0.0003106 0.44073 3.34262
219 3NJ4 AFX 0.007773 0.43475 3.34262
220 3NJ4 NAD 0.007773 0.43475 3.34262
221 4XDZ NDP 0.0002319 0.43183 3.34262
222 5MSO NAP 0.0003056 0.42946 3.34262
223 2CVZ NDP 0.0003442 0.42934 3.34262
224 5E4R NAP 0.0005068 0.42852 3.34262
225 3MJE NDP 0.0006155 0.42803 3.34262
226 2WPF WPF 0.01017 0.42386 3.34262
227 2WPF FAD 0.01054 0.42185 3.34262
228 4EUE NAI 0.001237 0.41939 3.34262
229 1ZMD FAD 0.002736 0.41851 3.34262
230 4EDF UPG 0.003526 0.41777 3.34262
231 4U7W NDP 0.0008177 0.4172 3.34262
232 1E1M NAP 0.008603 0.4061 3.34262
233 1E1M FAD 0.008603 0.4061 3.34262
234 3IHG FAD 0.00261 0.40576 3.34262
235 1ZMD NAI 0.0009877 0.40247 3.34262
236 2BRY FAD 0.003879 0.40176 3.34262
237 4ITU NAI 0.002471 0.40925 3.34572
238 4ITU 1HS 0.004427 0.40925 3.34572
239 2VZ0 NAP 0.01291 0.41123 3.35821
240 2VZ0 D64 0.01291 0.41123 3.35821
241 1HDO NAP 0.001588 0.41785 3.39806
242 4KWI NAP 0.001073 0.43146 3.42205
243 4KWI 1TJ 0.001182 0.43089 3.42205
244 1NFQ NAI 0.003426 0.40258 3.46154
245 1YQD NAP 0.0001311 0.45793 3.55191
246 1J5P NAD 0.0002661 0.43469 3.55731
247 5AYV KPL 0.002989 0.40851 3.55987
248 5AYV NAP 0.001101 0.40278 3.55987
249 4MDH NAD 0.001517 0.40754 3.59281
250 2CFC NAD 0.001565 0.41005 3.6
251 5MDH NAD 0.001243 0.41069 3.6036
252 1V6A TRE 0.01419 0.42811 3.61446
253 1U1I NAD 0.0001665 0.4554 3.62117
254 1P0F NAP 0.0001554 0.45363 3.62117
255 5DN9 NAD 0.0001906 0.45173 3.62117
256 4XYB NDP 0.00006368 0.44557 3.62117
257 5FJN BE2 0.001204 0.43462 3.62117
258 5FJN FAD 0.001056 0.43387 3.62117
259 1KEV NDP 0.0006698 0.43223 3.62117
260 1YKF NAP 0.0008542 0.42267 3.62117
261 1X7D ORN 0.002056 0.4171 3.62117
262 1D4D FAD 0.00352 0.41416 3.62117
263 1X7D NAD 0.001218 0.41401 3.62117
264 2XVE FAD 0.007033 0.41397 3.62117
265 2XVF FAD 0.00257 0.41334 3.62117
266 4J1Q NDP 0.001144 0.4125 3.62117
267 1GET NAP 0.01041 0.41128 3.62117
268 1GET FAD 0.01168 0.40798 3.62117
269 2RGJ FAD 0.002914 0.40651 3.62117
270 5BUK FAD 0.005842 0.40633 3.62117
271 3WMX NAD 0.00135 0.41242 3.63128
272 2HJR APR 0.00002059 0.45837 3.65854
273 1C3V NDP 0.0002402 0.44495 3.67347
274 3D3W NAP 0.0003156 0.44337 3.68852
275 1PR9 NAP 0.0004327 0.43814 3.68852
276 4Q9N NAI 0.002239 0.40828 3.69128
277 4TSK NDP 0.0005556 0.42075 3.71429
278 4JJF N2I 0.002004 0.40873 3.77907
279 4JJF FE9 0.001609 0.40707 3.77907
280 5GT9 NAP 0.0004572 0.43438 3.80228
281 1X1T NAD 0.00352 0.40337 3.84615
282 1R6D NAD 0.009411 0.4045 3.85757
283 1R6D DAU 0.01154 0.40013 3.85757
284 3A28 NAD 0.00143 0.41425 3.87597
285 1G0N PHH 0.0004801 0.4463 3.88693
286 1G0N NDP 0.0004957 0.44229 3.88693
287 2DBZ NAP 0.00002688 0.47575 3.89222
288 3ABI NAD 0.0000348 0.47497 3.89972
289 4A0S NAP 0.0002971 0.44146 3.89972
290 2JL1 NAP 0.0000618 0.43593 3.89972
291 3VZS NAP 0.001087 0.43542 3.89972
292 1REO FAD 0.001177 0.4288 3.89972
293 1Q9I TEO 0.004962 0.41811 3.89972
294 1PL6 572 0.001556 0.41561 3.89972
295 3HDY FAD 0.007305 0.41396 3.89972
296 1F8F NAD 0.0006593 0.41383 3.89972
297 2E5V FAD 0.003605 0.41375 3.89972
298 3VZS CAA 0.009301 0.41152 3.89972
299 3HDY FDA 0.009357 0.40949 3.89972
300 3HDY GDU 0.009699 0.40949 3.89972
301 2EWM NAD 0.00229 0.40791 3.89972
302 2WET FAD 0.004987 0.40721 3.89972
303 1PL6 NAD 0.0004809 0.40404 3.89972
304 5J7X FAD 0.005324 0.4021 3.89972
305 2DM6 IMN 0.001352 0.42644 3.9039
306 2DM6 NAP 0.003273 0.41034 3.9039
307 4XYM COA 0.001993 0.42195 3.91304
308 4XZ3 COA 0.0003105 0.4176 3.91304
309 4ZVV NAD 0.0005593 0.45867 3.91566
310 4ZVV GN0 0.0005593 0.45867 3.91566
311 2YVF NAD 0.01042 0.40754 3.92157
312 2YVF FAD 0.0102 0.40726 3.92157
313 1PZG A3D 0.0002724 0.45117 3.92749
314 2WSB NAD 0.002249 0.41885 3.93701
315 2PZM UDP 0.003934 0.41224 3.93939
316 2PZM NAD 0.003934 0.41224 3.93939
317 2RH4 EMO 0.0005629 0.4478 3.97112
318 2B4Q NAP 0.000717 0.42554 3.98551
319 1KYQ NAD 0.0001539 0.4035 4.0146
320 4W6Z 8ID 0.0002184 0.45359 4.03458
321 3JV7 NAD 0.000173 0.44877 4.05797
322 1EZ4 NAD 0.0008658 0.41324 4.08805
323 1O8B ABF 0.01508 0.42223 4.10959
324 1N5D NDP 0.0008211 0.42476 4.16667
325 3FWN ATR 0.004206 0.40162 4.16667
326 1DLJ NAI 0.0004216 0.45674 4.17827
327 1DLJ UGA 0.0004415 0.45593 4.17827
328 4RQU NAD 0.0002558 0.43918 4.17827
329 1YY5 FAD 0.001015 0.43659 4.17827
330 5IN4 NAP 0.01513 0.43202 4.17827
331 5IN4 GDP 0.0145 0.43202 4.17827
332 5IN4 6CK 0.01597 0.43065 4.17827
333 1GQ2 NAP 0.0008877 0.42005 4.17827
334 1I8T FAD 0.003055 0.41258 4.17827
335 4FMS BDP 0.03329 0.40821 4.17827
336 1LUA NAP 0.0001235 0.42532 4.18118
337 2ZB4 5OP 0.004809 0.40383 4.20168
338 2ZB4 NAP 0.004515 0.40383 4.20168
339 1RKX NAD 0.002323 0.4025 4.20168
340 1LDM NAD 0.0001437 0.4518 4.25532
341 4KQW NAP 0.0005892 0.43436 4.28571
342 3WXB NDP 0.0006582 0.42269 4.30108
343 2CUL FAD 0.003085 0.40797 4.31034
344 1VI2 NAD 0.0006822 0.40155 4.33333
345 2PV7 NAD 0.00008054 0.45432 4.36242
346 1XHL NDP 0.0007161 0.42842 4.3771
347 2QZZ NAP 0.001494 0.42249 4.40252
348 2QZZ EMF 0.001645 0.422 4.40252
349 1SC6 NAD 0.0000232 0.485 4.45682
350 5H81 NAP 0.00001147 0.46041 4.45682
351 4FWE FAD 0.0005281 0.44684 4.45682
352 3CMC NAD 0.004079 0.42715 4.45682
353 1H9A NAP 0.001097 0.42401 4.45682
354 1BZL FAD 0.01218 0.41955 4.45682
355 1FEC FAD 0.005566 0.40894 4.45682
356 5JAQ NAI 0.003987 0.40805 4.45682
357 4R1S NAP 0.001877 0.40122 4.45682
358 3S5W FAD 0.003576 0.40058 4.45682
359 3DAG FEG 0.001504 0.40201 4.46927
360 1Z82 NDP 0.0005263 0.43675 4.47761
361 1I0Z NAI 0.0001757 0.44852 4.5045
362 4CQM NAP 0.001749 0.41096 4.5082
363 1NPD NAD 0.0007518 0.40795 4.51389
364 1ZEM NAD 0.0005301 0.42099 4.58015
365 1ZBQ NAD 0.003053 0.40448 4.58716
366 1O6Z NAD 0.0000516 0.44787 4.62046
367 4J4H NAI 0.0001229 0.47525 4.6332
368 4J4H 1J1 0.0001229 0.47525 4.6332
369 4JK3 NAD 0.00002927 0.46668 4.6332
370 1OMO NAD 0.0003396 0.42002 4.65839
371 3SJU NDP 0.0001823 0.44309 4.6595
372 5A04 BGC 0.002373 0.43423 4.71976
373 5A04 NDP 0.001925 0.43423 4.71976
374 5CAE SIN 0.00001246 0.49692 4.73538
375 5CAE COA 0.000004006 0.48651 4.73538
376 4JBI NDP 0.00006014 0.45039 4.73538
377 3CIF NAD 0.0001622 0.44666 4.73538
378 3CIF G3H 0.001041 0.42616 4.73538
379 4IV9 FAD 0.00273 0.41554 4.73538
380 3CGD FAD 0.01216 0.41287 4.73538
381 3CGD COA 0.01216 0.41287 4.73538
382 3CGD NAD 0.01216 0.41287 4.73538
383 3CGB FAD 0.003166 0.40981 4.73538
384 3NTA FAD 0.003544 0.409 4.73538
385 3F8D FAD 0.01325 0.40801 4.73538
386 4G74 UQ5 0.006403 0.40734 4.73538
387 4G74 FAD 0.003847 0.40542 4.73538
388 5VN0 NAI 0.004935 0.40147 4.73538
389 3AB1 FAD 0.006669 0.40029 4.73538
390 3SJ7 NDP 0.00009959 0.4545 4.7619
391 2B5W NAP 0.0002783 0.41905 4.7619
392 5KKA 6V0 0.00006338 0.46842 4.80769
393 3B1F NAD 0.00002084 0.45545 4.82759
394 4QED NAP 0.001487 0.41361 4.83871
395 1UXG NAD 0.0001493 0.46259 4.85437
396 2JAP NDP 0.0001725 0.44418 4.8583
397 2JAH NDP 0.0006412 0.42882 4.8583
398 2Q7V FAD 0.001603 0.42568 4.92308
399 2DTX BMA 0.001121 0.42962 4.92424
400 1I36 NAP 0.0001504 0.42849 4.92424
401 1YJQ NAP 0.0002214 0.44924 4.9505
402 1F06 2NP 0.001073 0.42439 5
403 1F06 NDP 0.001073 0.42439 5
404 1U3U BNF 0.0005333 0.4456 5.01393
405 1U3U NAD 0.0005333 0.4456 5.01393
406 1JA9 NDP 0.0006392 0.43029 5.01393
407 1ZK7 FAD 0.001798 0.42767 5.01393
408 1YQZ FAD 0.004484 0.42137 5.01393
409 4CNK FAD 0.005718 0.4039 5.01393
410 2D2I NAP 0.001158 0.40389 5.01393
411 3OA2 NAD 0.0005092 0.43417 5.03145
412 1RM4 NDP 0.0006499 0.42059 5.04451
413 4L8V NAP 0.001022 0.41974 5.04451
414 3AD8 NAD 0.002402 0.41096 5.05051
415 5BSH PRO 0.001156 0.42052 5.05415
416 5JY6 NAD 0.004364 0.41573 5.05618
417 4GKV NAD 0.00009272 0.46514 5.05952
418 5ITV NAI 0.001636 0.41343 5.09804
419 1DSS NAD 0.0003529 0.42475 5.1051
420 1HDG NAD 0.0007788 0.43649 5.12048
421 5T2U NAP 0.0004253 0.43842 5.24194
422 1KEW TYD 0.006527 0.40865 5.26316
423 1KEW NAD 0.009281 0.40323 5.26316
424 5UAV NDP 0.00001537 0.49813 5.2795
425 5UAV TFB 0.00001537 0.49813 5.2795
426 4OOE NDP 0.00001525 0.53517 5.29248
427 4OOE FOM 0.00001525 0.53517 5.29248
428 5BVA FAD 0.002245 0.42287 5.29248
429 3LU1 NAD 0.00116 0.41766 5.29248
430 5EPO NAP 0.001307 0.41572 5.29248
431 5FI3 NAP 0.00003956 0.47288 5.32213
432 3ZV6 4HB 0.002639 0.41815 5.33808
433 3ZV6 NAD 0.002489 0.41815 5.33808
434 3A4V PYR 0.0009508 0.4289 5.36278
435 3A4V NAD 0.0009508 0.4289 5.36278
436 1GEE NAD 0.001537 0.41307 5.36398
437 4M52 FAD 0.004699 0.40823 5.36481
438 2AHR NAP 0.000585 0.42481 5.40541
439 1MXH DHF 0.003841 0.40764 5.43478
440 1MXH NAP 0.004745 0.40405 5.43478
441 3I6I NDP 0.0006486 0.43775 5.49133
442 3K7M FAD 0.002115 0.43096 5.56845
443 1Q0H NDP 0.00003512 0.49815 5.57103
444 1Q0H FOM 0.00003716 0.4949 5.57103
445 4U8P UDP 0.006451 0.42065 5.57103
446 4U8P FDA 0.006034 0.42065 5.57103
447 1PS9 FAD 0.002469 0.41829 5.57103
448 4UP4 NDG 0.02876 0.41524 5.57103
449 3NTD FAD 0.004355 0.40551 5.57103
450 5N2I NAP 0.000003015 0.47832 5.60345
451 3V1Y NAD 0.0001716 0.43873 5.63798
452 1YB5 NAP 0.0005448 0.43566 5.69801
453 1CER NAD 0.000293 0.45007 5.74018
454 1BDB NAD 0.0009098 0.40995 5.77617
455 2NAD NAD 0.00008203 0.46862 5.84958
456 4AP3 FAD 0.004933 0.42036 5.84958
457 4AP3 NAP 0.004933 0.42036 5.84958
458 1PN0 IPH 0.003383 0.41935 5.84958
459 1PN0 FAD 0.00322 0.41935 5.84958
460 4K26 NDP 0.001447 0.41545 5.84958
461 4K26 SFF 0.002613 0.41524 5.84958
462 1RPN NDP 0.000537 0.4047 5.84958
463 3ETG NDP 0.01013 0.4032 5.84958
464 3ETG GTP 0.007339 0.40238 5.84958
465 3ETG GLU 0.01119 0.40142 5.84958
466 4YSX FAD 0.004775 0.406 5.85106
467 2WJG GDP 0.03398 0.40379 5.85106
468 2EXX NAP 0.002219 0.41228 5.88235
469 1A27 NAP 0.002065 0.40824 5.88235
470 1BXK NAD 0.00162 0.40935 5.91549
471 3L4S 3PG 0.004301 0.40005 5.95238
472 3L4S NAD 0.003992 0.40005 5.95238
473 1RP0 AHZ 0.001826 0.41297 5.98592
474 2JHF NAD 0.003401 0.45537 6.12813
475 4YRY FAD 0.002544 0.41878 6.12813
476 4YRY NAD 0.01027 0.40296 6.12813
477 1EBF NAD 0.0001166 0.43683 6.14525
478 5GUD NDP 0.003173 0.41194 6.15711
479 2DTJ THR 0.02959 0.40316 6.17978
480 1NVT NAP 0.00004819 0.45171 6.27178
481 3AY6 NAI 0.002786 0.41197 6.3197
482 3AY6 BGC 0.006149 0.4097 6.3197
483 4IDC 1XX 0.00108 0.42297 6.3253
484 4IDC NDP 0.00108 0.42297 6.3253
485 1HYE NAP 0.00003147 0.45251 6.38978
486 2NU8 COA 0.00002568 0.46773 6.40669
487 4JDR FAD 0.002314 0.4194 6.40669
488 3GF4 UPG 0.008312 0.40959 6.40669
489 4DSG FAD 0.01076 0.40631 6.40669
490 4DSG UDP 0.01076 0.40631 6.40669
491 1PGP 6PG 0.003663 0.40624 6.40669
492 3GF4 FAD 0.009764 0.40458 6.40669
493 4Z24 FAD 0.006907 0.4016 6.40669
494 2EV9 NAP 0.0005708 0.43216 6.46388
495 2EV9 SKM 0.0005708 0.43216 6.46388
496 1CF2 NAP 0.00008326 0.45129 6.52819
497 2AE2 PTO 0.000779 0.43693 6.53846
498 2AE2 NAP 0.000779 0.43693 6.53846
499 4ZCC NAI 0.001276 0.4382 6.54762
500 4ZCC FAD 0.001276 0.4382 6.54762
501 3AFN NAP 0.0003307 0.44259 6.58915
502 5L4S NAP 0.001308 0.42472 6.60377
503 5L4S 6KX 0.001308 0.42472 6.60377
504 3TN7 NJP 0.00008967 0.46113 6.61479
505 2DKN NAI 0.001168 0.41479 6.66667
506 1SAY PYR 0.0002152 0.45113 6.68524
507 1RYI FAD 0.005542 0.40444 6.68524
508 3O26 NDP 0.000586 0.42883 6.75241
509 1XG5 NAP 0.0001528 0.45238 6.81004
510 4PLG NAI 0.0001171 0.4654 6.88623
511 2VHW NAI 0.0002526 0.45115 6.89655
512 5L4L NAP 0.0007435 0.40704 6.90789
513 2V6G NAP 0.000172 0.45043 6.96379
514 1N1G BCP 0.002079 0.41458 6.96379
515 5MZI FYK 0.008924 0.40968 6.96379
516 5MZI FAD 0.009124 0.40861 6.96379
517 3CH6 NAP 0.001556 0.44183 6.99301
518 3CH6 311 0.001556 0.44183 6.99301
519 1BW9 NAD 0.001843 0.43105 7.30337
520 1BXG NAD 0.001538 0.40536 7.30337
521 1C1X NAD 0.001674 0.42009 7.32394
522 4MP8 NAD 0.0004101 0.44428 7.37463
523 4TQG NDP 0.0007947 0.42096 7.43034
524 4K28 NAD 0.0003176 0.42402 7.43494
525 1ZH8 NAP 0.0003034 0.43334 7.52089
526 1V8B NAD 0.001089 0.42663 7.52089
527 1JAY NAP 0.000007249 0.47138 7.54717
528 2VYN NAD 0.0003015 0.43644 7.55287
529 1GAD NAD 0.0004481 0.42343 7.57576
530 4NBU NAI 0.002161 0.40886 7.6
531 2GAG NAD 0.001301 0.42481 7.61905
532 2YY7 NAD 0.0009537 0.4223 7.69231
533 3VPH NAD 0.000813 0.42768 7.74194
534 3VPH OXM 0.001061 0.42583 7.74194
535 4E13 NAD 0.00001913 0.44869 7.79944
536 2B4R NAD 0.0001711 0.45052 7.82609
537 2B4R AES 0.0003621 0.4367 7.82609
538 1JNR FAD 0.02193 0.40032 8
539 4ZGS NAD 0.0001043 0.44044 8.07799
540 2ZJ1 ARJ 0.003058 0.42281 8.07799
541 1CDO NAD 0.0005272 0.42054 8.07799
542 2ZJ1 NAD 0.003517 0.42035 8.07799
543 5TUF FAD 0.001224 0.40877 8.07799
544 3OID NDP 0.0003457 0.44186 8.13953
545 4D42 W0I 0.00109 0.44008 8.15603
546 4D42 NAP 0.00109 0.44008 8.15603
547 2F1K NAP 0.0001163 0.44531 8.24373
548 5JE8 NAD 0.0002248 0.45825 8.27815
549 4PIV NDP 0.001373 0.41632 8.35655
550 1RL4 BRR 0.04123 0.4032 8.51064
551 1J49 NAD 0.00003796 0.47009 8.6351
552 1N7G NDP 0.003659 0.43104 8.6351
553 1N7G GDR 0.00273 0.42801 8.6351
554 5JWC FAD 0.0025 0.41149 8.6351
555 3RJ5 NAD 0.0005244 0.44134 8.66142
556 3WBF NAP 0.00005231 0.46465 8.85246
557 3WBF API 0.00008853 0.46443 8.85246
558 4GUS FAD 0.0004339 0.45128 8.87097
559 4HSU FAD 0.000546 0.44731 8.87097
560 4GUT FAD 0.0007154 0.44464 8.87097
561 4BVA NDP 0.0001731 0.45033 8.95522
562 4BVA T3 0.001011 0.43024 8.95522
563 1J0X NAD 0.001727 0.42643 9.03614
564 1LTH NAD 0.00007469 0.44295 9.09091
565 1AE1 NAP 0.0006147 0.43232 9.15751
566 4REP FAD 0.004943 0.4044 9.1922
567 2Q1W NAD 0.001743 0.41374 9.30931
568 2F5Z FAD 0.0019 0.42479 9.375
569 3U4C NDP 0.000257 0.43942 9.60854
570 2VT3 ATP 0.00003529 0.40515 9.76744
571 1OC2 TDX 0.01223 0.40128 9.77011
572 1OC2 NAD 0.01223 0.40128 9.77011
573 2Q46 NAP 0.000491 0.42845 9.88142
574 4R5M 4NO 0.00000002563 0.59511 10.0279
575 4R5M NAP 0.00000006557 0.57255 10.0279
576 1TB4 PEJ 0.0000003752 0.54899 10.0279
577 4E5N NAD 0.0001953 0.44835 10.0279
578 1HDR NAD 0.005702 0.41021 10.2459
579 3C1O NAP 0.0001932 0.42834 10.2804
580 3GGO NAI 0.0003147 0.45353 10.3064
581 3GGO ENO 0.0003147 0.45353 10.3064
582 2C7G FAD 0.00942 0.40594 10.3064
583 2C7G ODP 0.009357 0.40534 10.3064
584 1IY8 NAD 0.001667 0.41312 10.4869
585 3QV1 NAD 0.0004184 0.42064 10.9756
586 3ICC NAP 0.0004575 0.43581 10.9804
587 4YAG NAI 0.004381 0.40943 11.0727
588 1MV8 NAD 0.0006383 0.4174 11.4206
589 1MUU NAD 0.0008985 0.40857 11.4206
590 2ZAT NAP 0.0008896 0.42201 11.5385
591 3RFV NAI 0.002254 0.40142 11.6105
592 4O0L NDP 0.0001166 0.45681 12
593 2HK9 NAP 0.00009449 0.4476 12
594 1H82 GZZ 0.003968 0.42497 13.0919
595 1H82 FAD 0.003541 0.42338 13.0919
596 2G5C NAD 0.0004015 0.43501 13.1673
597 3BAZ NAP 0.00001253 0.50877 13.2132
598 1GEG NAD 0.002116 0.40784 14.0625
599 1E6E FAD 0.004261 0.4037 14.0625
600 2I3G NAP 0.00000000004875 0.69797 14.2045
601 3QWI NAP 0.0008278 0.42603 14.4444
602 3QWI CUE 0.001593 0.42579 14.4444
603 2BKA NDP 0.001188 0.4144 16.5289
604 4NBT NAD 0.001872 0.4073 17.0833
605 5ODQ FAD 0.005543 0.40539 18.0602
606 1HKU NAD 0.0002371 0.43916 19.5531
607 2DC1 NAD 0.0001172 0.44815 21.1864
608 1NVM NAD 0.0000002986 0.5548 25.3205
609 3RNM FAD 0.002238 0.42196 27.5862
610 2GZ3 NAP 0.000000000005263 0.77399 43.7326
Pocket No.: 2; Query (leader) PDB : 4DPL; Ligand: NAP; 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: 4dpl.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4DPL; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4dpl.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4DPL; Ligand: NAP; 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: 4dpl.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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