Receptor
PDB id Resolution Class Description Source Keywords
4R1S 1.6 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF PETUNIA HYDRIDA CINNAMOYL-COA REDUCTASE PETUNIA X HYBRIDA CINNAMOYL-COA REDUCTASE SHORT-CHAIN DEHYDROGENASE/REDUCTASEOXIDOREDUCTASE
Ref.: STRUCTURAL STUDIES OF CINNAMOYL-COA REDUCTASE AND CINNAMYL-ALCOHOL DEHYDROGENASE, KEY ENZYMES OF MONO BIOSYNTHESIS. PLANT CELL V. 26 3709 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP A:401;
B:401;
Valid;
Valid;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4R1S 1.6 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF PETUNIA HYDRIDA CINNAMOYL-COA REDUCTASE PETUNIA X HYBRIDA CINNAMOYL-COA REDUCTASE SHORT-CHAIN DEHYDROGENASE/REDUCTASEOXIDOREDUCTASE
Ref.: STRUCTURAL STUDIES OF CINNAMOYL-COA REDUCTASE AND CINNAMYL-ALCOHOL DEHYDROGENASE, KEY ENZYMES OF MONO BIOSYNTHESIS. PLANT CELL V. 26 3709 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 4R1S - 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 247 families.
1 4R1S - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2C29 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 3C1T - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 4R1S - 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 : 4R1S; Ligand: NAP; Similar sites found: 318
This union binding pocket(no: 1) in the query (biounit: 4r1s.bio2) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3NJ4 AFX 0.03726 0.40986 1.18694
2 3NJ4 NAD 0.04362 0.4066 1.18694
3 5KKA 6V0 0.001022 0.40141 1.28205
4 3S5W FAD 0.001853 0.41972 1.48368
5 5LD5 NAD 0.002445 0.41823 1.48368
6 1GUZ NAD 0.0009799 0.42783 1.6129
7 4EUE NAI 0.0002262 0.45756 1.78042
8 3SQP FAD 0.04736 0.41462 1.78042
9 3GCM 5GP 0.04182 0.409 1.78042
10 1R37 NAD 0.004895 0.40659 1.78042
11 1XKQ NDP 0.0000002493 0.57769 1.78571
12 1J0X NAD 0.001974 0.43241 1.80723
13 1LDM NAD 0.001351 0.40608 1.82371
14 5CAE COA 0.003701 0.40782 1.91693
15 4YCA NDP 0.002748 0.40724 2.04082
16 2BD0 NAP 0.000000004675 0.64472 2.04918
17 1P7T PYR 0.002831 0.44983 2.07715
18 1E5Q NDP 0.0003575 0.43311 2.07715
19 2J5V PCA 0.015 0.42077 2.07715
20 1D8C GLV 0.003071 0.40905 2.07715
21 3OPT AKG 0.02992 0.40717 2.07715
22 3CMC NAD 0.004558 0.43268 2.09581
23 2DBZ NAP 0.002739 0.41022 2.09581
24 2VYN NAD 0.002893 0.40929 2.1148
25 1GAD NAD 0.001851 0.41394 2.12121
26 3C1O NAP 0.0005637 0.42679 2.18069
27 3OIG NAD 0.000004903 0.51651 2.25564
28 3EB9 FLC 0.006213 0.42914 2.25564
29 2WSB NAD 0.000000007575 0.65251 2.3622
30 1H6C SIN 0.002568 0.42359 2.37389
31 1H6C NDP 0.002294 0.4234 2.37389
32 3ABI NAD 0.0005983 0.41969 2.37389
33 3H9E NAD 0.00166 0.41579 2.37389
34 5GWE GWM 0.03685 0.40218 2.37389
35 4FC7 NAP 0.00000003104 0.63065 2.52708
36 4FC7 COA 0.00000003104 0.63065 2.52708
37 2RH4 EMO 0.00000001844 0.48647 2.52708
38 1GV0 NAD 0.0006664 0.43594 2.58065
39 1W73 NAP 0.00000001866 0.62208 2.64901
40 1W8D NAP 0.00000001774 0.5954 2.64901
41 3CIF NAD 0.0005002 0.43934 2.67062
42 3CIF G3H 0.002307 0.42098 2.67062
43 1UWK URO 0.004797 0.41816 2.67062
44 1UWK NAD 0.004797 0.41816 2.67062
45 1PL6 572 0.005333 0.40268 2.67062
46 3BAZ NAP 0.0008237 0.43089 2.7027
47 5ITV NAI 0.000000006482 0.63675 2.7451
48 3ORF NAD 0.000002007 0.53378 2.78884
49 2A92 NAI 0.001144 0.42942 2.80374
50 3GGO NAI 0.0006604 0.45006 2.86624
51 3GGO ENO 0.0006604 0.45006 2.86624
52 2BH9 NAP 0.001872 0.44545 2.96736
53 2DFV NAD 0.002291 0.41183 2.96736
54 5JCM ISD 0.01839 0.40545 2.96736
55 5JCM FAD 0.01782 0.40545 2.96736
56 5JCM NAD 0.01839 0.40545 2.96736
57 3LZW NAP 0.02003 0.40006 3.01205
58 3LZW FAD 0.009052 0.40006 3.01205
59 4O1M NAD 0.000009286 0.50942 3.1746
60 2CFC NAD 0.000000005015 0.61091 3.2
61 4QED NAP 0.000000006596 0.63408 3.22581
62 3AFN NAP 0.0000002055 0.58106 3.2641
63 1GR0 NAD 0.002702 0.417 3.2641
64 1TI7 NAP 0.001252 0.40381 3.2641
65 3R7F CP 0.007521 0.4407 3.28947
66 3QWI CUE 0.00000002949 0.6299 3.33333
67 3QWI NAP 0.00000001099 0.6299 3.33333
68 2GCG NDP 0.003815 0.40454 3.33333
69 1V35 NAI 0.00001466 0.51843 3.34347
70 3O03 NAP 0.0000000476 0.59298 3.43643
71 1WP4 NDP 0.00258 0.4098 3.46021
72 2QLU ADE 0.02168 0.41184 3.50318
73 3O26 NDP 0.00000002812 0.60914 3.53698
74 2CDC XYP 0.01544 0.40879 3.56083
75 3G5S FAD 0.006596 0.40466 3.56083
76 2CDC XYS 0.02122 0.4027 3.56083
77 2CDC NAP 0.02122 0.4027 3.56083
78 4GKV NAD 0.001735 0.42476 3.57143
79 1AE1 NAP 0.00000005542 0.60389 3.663
80 5UAV TFB 0.0005758 0.44665 3.72671
81 5UAV NDP 0.0005758 0.44665 3.72671
82 4HXY NDP 0.0000000176 0.61949 3.85757
83 1H9A NAP 0.0009421 0.43545 3.85757
84 3V1Y NAD 0.000577 0.4337 3.85757
85 2B4R NAD 0.001216 0.427 3.85757
86 4X1B MLI 0.02383 0.41599 3.85757
87 2B4R AES 0.00249 0.41325 3.85757
88 5H81 NAP 0.005492 0.40669 3.85757
89 1DSS NAD 0.000775 0.42524 3.9039
90 1WMA AB3 0.000000119 0.60799 3.98551
91 1WMA NDP 0.000000119 0.47724 3.98551
92 1A5Z NAD 0.001456 0.4028 4.07523
93 1EZ4 NAD 0.002112 0.4117 4.08805
94 2UVO NDG 0.01369 0.42061 4.09357
95 4CPB GAL CN8 0.0127 0.41583 4.13223
96 3B1F NAD 0.00162 0.40335 4.13793
97 2Q1S NAI 0.00000009573 0.61193 4.1543
98 4AP3 NAP 0.0161 0.4055 4.1543
99 1QG6 NAD 0.000005966 0.53726 4.21456
100 1QG6 TCL 0.000005966 0.53726 4.21456
101 9LDB NAD 0.0009186 0.43185 4.21687
102 9LDT NAD 0.001104 0.42867 4.21687
103 1ZBQ NAD 0.0000004575 0.5652 4.28135
104 1W6U NAP 0.000000009011 0.60617 4.30464
105 2Q2V NAD 0.00000007137 0.59949 4.31373
106 3RJ5 NAD 0.00000001446 0.6373 4.33071
107 2YY7 NAD 0.000000006156 0.63764 4.45104
108 3V1U NAD 0.00000003653 0.59101 4.45104
109 2R2N KYN 0.01431 0.43079 4.45104
110 1MO9 FAD 0.03051 0.40207 4.45104
111 4DPL NAP 0.001877 0.40122 4.45682
112 4NZ6 DGL 0.03256 0.40717 4.47284
113 1I36 NAP 0.001816 0.40428 4.54545
114 1SOW NAD 0.000504 0.44366 4.57317
115 1FNZ A2G 0.01673 0.4211 4.64135
116 4TQG NDP 0.00000004938 0.59717 4.64396
117 3OID NDP 0.00000003239 0.61326 4.65116
118 1GZ6 NAI 0.000001291 0.50694 4.70219
119 1XSE NDP 0.00000001751 0.63751 4.74576
120 2GZ3 NAP 0.001159 0.44683 4.74777
121 3I6I NDP 0.00002787 0.42839 4.74777
122 2NAD NAD 0.007401 0.40046 4.74777
123 3SJ7 NDP 0.000000006414 0.6321 4.7619
124 3L4S 3PG 0.005898 0.40214 4.7619
125 3L4S NAD 0.005502 0.40214 4.7619
126 1I0Z NAI 0.0008139 0.41397 4.8048
127 4KBA 1QM 0.02548 0.40659 4.83384
128 4J7U NAP 0.000002173 0.55412 4.86111
129 4J7U YTZ 0.000002173 0.55412 4.86111
130 3CH6 311 0.0000003676 0.6077 4.8951
131 3CH6 NAP 0.0000003676 0.6077 4.8951
132 1Z6Z NAP 0.00000261 0.53124 4.96454
133 1U1I NAD 0.0001355 0.4694 5.04451
134 1VKO NAD 0.0003778 0.4174 5.04451
135 4W6Z 8ID 0.003667 0.41397 5.04451
136 3VZS NAP 0.000000007753 0.50096 5.05837
137 3VZS CAA 0.00000002901 0.42093 5.05837
138 4BVA NDP 0.005 0.40255 5.07463
139 2F5X ASP 0.03312 0.40736 5.12821
140 1SAY PYR 0.001338 0.42932 5.34125
141 3SHR CMP 0.01575 0.41325 5.35117
142 4Q9N NAI 0.00001125 0.5079 5.36913
143 1X1T NAD 0.000000118 0.52872 5.38462
144 4MDH NAD 0.0003594 0.43618 5.38922
145 5MDH NAD 0.0001481 0.45848 5.40541
146 4NBT NAD 0.00000000703 0.63053 5.41667
147 1CER NAD 0.000846 0.42721 5.43807
148 3VPH NAD 0.001871 0.42218 5.48387
149 3VPH OXM 0.003518 0.41356 5.48387
150 2CVQ NDP 0.001619 0.41923 5.50459
151 4ZA2 NAD 0.0000001652 0.57651 5.5336
152 5T9E NAP 0.003353 0.40386 5.53506
153 1E7S NAP 0.0000000103 0.63103 5.60748
154 3LL5 IP8 0.0183 0.42046 5.62249
155 1RM4 NDP 0.002055 0.41369 5.63798
156 1G0N NDP 0.000000003343 0.66332 5.65371
157 1G0N PHH 0.000000005681 0.65947 5.65371
158 1V6A TRE 0.008868 0.4352 5.72289
159 5G1N PAL 0.01319 0.40942 5.73248
160 1U7T TDT 0.00000002337 0.63408 5.74713
161 1U7T NAD 0.000000007822 0.62619 5.74713
162 1UXG NAD 0.0008902 0.44134 5.82524
163 1LTH NAD 0.0007107 0.42304 5.95611
164 5L8L ADP 0.02033 0.40768 5.98291
165 2GDZ NAD 0.00000001678 0.61802 5.99251
166 1UZN NAP 0.00001634 0.44465 6.07287
167 3QV1 NAD 0.0009032 0.4293 6.09756
168 1E3W NAD 0.00000000715 0.5952 6.13027
169 1E6W NAD 0.000000007526 0.59448 6.15385
170 2B4Q NAP 0.0000002747 0.56995 6.15942
171 1HDG NAD 0.003127 0.40786 6.3253
172 2Z9I GLY ALA THR VAL 0.02886 0.40909 6.48148
173 2WYV NAD 0.00002042 0.49587 6.51341
174 4K26 NDP 0.0000001254 0.58557 6.52174
175 4K26 SFF 0.0000004188 0.57912 6.52174
176 4PIV NDP 0.000000122 0.58605 6.82493
177 1J5P NAD 0.002941 0.40757 6.82493
178 4CQM NAP 0.000000001397 0.66076 6.96721
179 5XVK 8GC 0.02861 0.40728 7.04225
180 4D3F NAP 0.004615 0.40987 7.09677
181 3TWO NDP 0.004803 0.40808 7.12166
182 1ZK4 NAP 0.0000002634 0.58228 7.17131
183 1O6Z NAD 0.0005358 0.42672 7.26073
184 2JAC GSH 0.02041 0.41531 7.27273
185 2DKN NAI 0.00000002868 0.5834 7.45098
186 1T26 NAI 0.001172 0.44081 7.45342
187 5E5U MLI 0.01289 0.40411 7.53769
188 1NFQ NAI 0.000000002599 0.65491 7.69231
189 5L53 NAP 0.0000008843 0.566 7.71605
190 2PV7 NAD 0.001198 0.41708 7.71812
191 1Q7B NAP 0.00000004505 0.56579 7.78689
192 2GSD NAD 0.006819 0.4019 8.01187
193 2ZAT NAP 0.00000009481 0.58825 8.07692
194 3OA2 NAD 0.001945 0.40353 8.1761
195 3AY6 NAI 0.00000005556 0.51569 8.17844
196 3AY6 BGC 0.0000001525 0.44713 8.17844
197 3WXB NDP 0.00000000752 0.58712 8.24373
198 3ZV6 NAD 0.0000002291 0.5931 8.54093
199 3ZV6 4HB 0.0000002497 0.5931 8.54093
200 4KOA NDP 0.00796 0.41258 8.70871
201 1P77 ATR 0.01754 0.41931 8.82353
202 2AE2 NAP 0.00000004239 0.6217 8.84615
203 2AE2 PTO 0.00000004239 0.50169 8.84615
204 2BKA NDP 0.0000007583 0.55043 9.09091
205 1O5I NAD 0.00005529 0.44737 9.23695
206 1H5Q NAP 0.000000001842 0.65849 9.43396
207 5IN4 6CK 0.00000008287 0.69129 9.49555
208 5IN4 NAP 0.0000000849 0.69129 9.49555
209 5IN4 GDP 0.00000008727 0.68919 9.49555
210 5L4S NAP 0.0000002519 0.58482 9.74843
211 5L4S 6KX 0.0000002519 0.58482 9.74843
212 1D7O NAD 0.00001414 0.44197 9.76431
213 1YJQ NAP 0.005585 0.40309 9.90099
214 4YEE 4CQ 0.03332 0.40464 10
215 1N7G NDP 0.00000000672 0.69136 10.089
216 1N7G GDR 0.000000009436 0.67029 10.089
217 1LDN NAD 0.001491 0.42348 10.1266
218 4IXW IXW 0.02367 0.40824 10.2362
219 3JQ7 NAP 0.0000001609 0.56332 10.4167
220 1OAA OAA 0.0000001752 0.60101 10.4247
221 2DTX BMA 0.000000002628 0.66955 10.6061
222 3JQ9 NAP 0.00000004231 0.60212 10.7639
223 3JQ8 NAP 0.00000005271 0.59834 10.7639
224 4CLR NAP 0.00000004853 0.59747 10.7639
225 3BMN NAP 0.00000007924 0.59133 10.7639
226 4CLO NAP 0.00000005096 0.58213 10.7639
227 3JQA NAP 0.00000005339 0.58139 10.7639
228 3JQG NAP 0.0000000544 0.58101 10.7639
229 3JQB NAP 0.00000006727 0.57763 10.7639
230 3BMQ NAP 0.00000002284 0.57672 10.7639
231 4CME NAP 0.0000000517 0.57304 10.7639
232 3BMO NAP 0.00000005172 0.57276 10.7639
233 3JQF NAP 0.00000003061 0.57252 10.7639
234 4CMI NAP 0.00000006295 0.56973 10.7639
235 4CM8 NAP 0.0000000659 0.56908 10.7639
236 4CM4 NAP 0.00000006897 0.56827 10.7639
237 4CM9 NAP 0.00000004991 0.56506 10.7639
238 3JQF AX2 0.005412 0.42369 10.7639
239 3JQA DX4 0.01251 0.41517 10.7639
240 4CME KTZ 0.01697 0.41163 10.7639
241 1GEE NAD 0.000000003218 0.60757 11.1111
242 1RPN NDP 0.000000002093 0.56513 11.3433
243 1HYE NAP 0.0008427 0.41589 11.5016
244 2VZ0 NAP 0.0000004267 0.61751 11.5672
245 2VZ0 D64 0.0000004267 0.61751 11.5672
246 2WD7 NAP 0.00000006318 0.59296 11.5672
247 1EQ2 NAP 0.00000009241 0.58869 11.6129
248 2VUT NAD 0.002163 0.4008 11.6279
249 3MJE NDP 0.00000001479 0.62019 11.6935
250 2X6T NAP 0.00000001749 0.61731 11.7647
251 2EXX NAP 0.00005964 0.48375 11.7647
252 3HB5 NAP 0.00000002942 0.46761 11.9266
253 3OJF IMJ 0.000005019 0.53767 12.0623
254 3OJF NDP 0.000006946 0.52299 12.0623
255 1XHL NDP 0.000000269 0.57441 12.1212
256 1JAY NAP 0.001091 0.40851 12.2642
257 4D42 NAP 0.000004158 0.55128 12.4113
258 4D42 W0I 0.000004158 0.55128 12.4113
259 1GY8 NAD 0.000000006368 0.63706 12.4629
260 5KQA GSH 0.02561 0.40926 12.8788
261 2FR1 NDP 0.00000003351 0.55632 13.0564
262 1VL8 NAP 0.00000004697 0.54384 13.1086
263 1BXK NAD 0.000000001281 0.65966 13.3531
264 2VHW NAI 0.004741 0.40943 13.3531
265 2PD4 DCN 0.00002511 0.50042 13.4545
266 2PD4 NAD 0.00002855 0.49816 13.4545
267 1A27 NAP 0.0000002433 0.57204 13.4948
268 1KEW TYD 0.000000001879 0.69292 13.6499
269 1KEW NAD 0.000000005729 0.67391 13.6499
270 3B20 NAD 0.001551 0.41054 13.8643
271 1OC2 NAD 0.000000009373 0.67041 14.2433
272 1OC2 TDX 0.000000009373 0.45413 14.2433
273 1RKX NAD 0.000000002257 0.60383 14.5401
274 1R6D NAD 0.000000002504 0.69214 15.1335
275 1R6D DAU 0.00000000694 0.67182 15.1335
276 1SB8 UD2 0.000000007134 0.67131 16.0237
277 1SB8 NAD 0.00000001675 0.64974 16.0237
278 1EK6 UPG 0.00000002169 0.65478 16.3205
279 1EK6 NAI 0.00000001694 0.45627 16.3205
280 2C5A GDC 0.00000003141 0.45054 16.3205
281 2C5A NAD 0.00000003141 0.45054 16.3205
282 2VOH CIT 0.02391 0.41412 16.5605
283 3LU1 NAD 0.000000002887 0.60906 16.6172
284 1N5D NDP 0.00000001825 0.61887 16.6667
285 5MSO NAP 0.0000000002839 0.67975 17.2107
286 4J1Q NDP 0.00000001284 0.61774 17.2107
287 1WVG APR 0.00000008957 0.57573 17.5074
288 1UDB NAD 0.00000001727 0.65357 17.8042
289 2PZM NAD 0.0000008441 0.5726 18.1818
290 2PZM UDP 0.0000008441 0.5726 18.1818
291 3A4V NAD 0.000000003542 0.65827 18.2965
292 3A4V PYR 0.000000003542 0.55904 18.2965
293 1Z45 NAD 0.000000003682 0.60499 18.3976
294 3RFV NAI 0.00000005069 0.59436 19.1011
295 3RFV 15L 0.000001911 0.53043 19.1011
296 3KO8 NAD 0.0000000004855 0.68402 19.2308
297 1ORR NAD 0.000000004725 0.6468 20.178
298 3NUG NAD 0.0000000002412 0.6936 20.6478
299 2Q46 NAP 0.000001707 0.53655 21.3439
300 1ZEM NAD 0.00000001271 0.61535 24.8092
301 1HDO NAP 0.00000006013 0.5335 25.2427
302 1GEG NAD 0.000000007966 0.59405 25.7812
303 3H4V DVP 0.00000006958 0.61611 26.3889
304 3H4V NAP 0.000000167 0.59877 26.3889
305 4GLL NAD 0.000000001712 0.66216 28.7834
306 1FK8 NAD 0.0000009475 0.54761 30.7393
307 1I2B NAD 0.00000002975 0.64759 31.4356
308 1I2B USQ 0.0004353 0.50198 31.4356
309 1I2B UPG 0.0004353 0.50198 31.4356
310 4U7W NDP 0.000000000006019 0.73015 31.454
311 1PR9 NAP 0.0000000148 0.6269 31.5574
312 3D3W NAP 0.00000002553 0.6174 31.5574
313 4ZRN NAD 0.000000001147 0.58582 32.6923
314 4ZRN UPG 0.0000000112 0.47269 32.6923
315 3ICC NAP 0.00000003059 0.55633 32.9412
316 2Q1W NAD 0.0000001654 0.5329 41.4414
317 1Y1P NMN AMP PO4 0.00000000009742 0.7231 42.73
318 4PVD NDP 0.00000000000008682 0.81685 48.368
Pocket No.: 2; Query (leader) PDB : 4R1S; Ligand: NAP; Similar sites found: 8
This union binding pocket(no: 2) in the query (biounit: 4r1s.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4K6B GLU 0.03416 0.40263 None
2 3TY3 GGG 0.02352 0.41185 2.37389
3 2D2I NAP 0.003207 0.40244 2.96736
4 3B9Q MLI 0.02073 0.41369 3.31126
5 2Q37 3AL 0.03826 0.40183 3.8674
6 2UVO NAG 0.0125 0.4222 4.09357
7 3L4N GSH 0.03373 0.40357 7.08661
8 4TR1 GSH 0.0287 0.40333 11.9565
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