Receptor
PDB id Resolution Class Description Source Keywords
5L4L 1.2 Å EC: 1.-.-.- POLYKETIDE KETOREDUCTASE SIMC7 - TERNARY COMPLEX WITH NADP+ SD8 STREPTOMYCES ANTIBIOTICUS SHORT-CHAIN DEHYDROGENASE/REDUCTASE KETOREDUCTASE SIMOCYCLDNA GYRASE INHIBITOR OXIDOREDUCTASE
Ref.: SUBSTRATE-ASSISTED CATALYSIS IN POLYKETIDE REDUCTIO PROCEEDS VIA A PHENOLATE INTERMEDIATE. CELL CHEM BIOL V. 23 1091 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP A:302;
Valid;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
7OX A:303;
Valid;
Atoms found LESS than expected: % Diff = 0.288;
ic50 = 75 uM
930.259 C46 H40 Cl N O18 C[C@@...
GOL A:301;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5L4L 1.2 Å EC: 1.-.-.- POLYKETIDE KETOREDUCTASE SIMC7 - TERNARY COMPLEX WITH NADP+ SD8 STREPTOMYCES ANTIBIOTICUS SHORT-CHAIN DEHYDROGENASE/REDUCTASE KETOREDUCTASE SIMOCYCLDNA GYRASE INHIBITOR OXIDOREDUCTASE
Ref.: SUBSTRATE-ASSISTED CATALYSIS IN POLYKETIDE REDUCTIO PROCEEDS VIA A PHENOLATE INTERMEDIATE. CELL CHEM BIOL V. 23 1091 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 5L4L ic50 = 75 uM 7OX C46 H40 Cl N O18 C[C@@H]1[C....
2 5L3Z - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 5L4L ic50 = 75 uM 7OX C46 H40 Cl N O18 C[C@@H]1[C....
2 5L3Z - 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 177 families.
1 5L4L ic50 = 75 uM 7OX C46 H40 Cl N O18 C[C@@H]1[C....
2 5L3Z - 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
Ligand no: 2; Ligand: 7OX; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 7OX 1 1
2 SM8 0.757764 1
3 SMQ 0.551515 0.765625
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5L4L; Ligand: NAP; Similar sites found: 257
This union binding pocket(no: 1) in the query (biounit: 5l4l.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1KYQ NAD 0.004177 0.4223 None
2 1FWV SGA MAG FUC 0.01501 0.42089 None
3 1Q7B NAP 0.000001218 0.50762 1.63934
4 1J0X NAD 0.0004779 0.46496 1.64474
5 4YCA NDP 0.0007334 0.42195 1.70068
6 5L53 NAP 0.00001753 0.50746 1.97368
7 1LDN NAD 0.001394 0.43088 1.97368
8 4IDC NDP 0.002304 0.42448 1.97368
9 4IDC 1XX 0.002304 0.42448 1.97368
10 2WPF WPF 0.02341 0.41852 1.97368
11 2WPF FAD 0.02322 0.41743 1.97368
12 1DJN ADP 0.004598 0.40386 1.97368
13 3G89 SAM 0.0168 0.40159 2.00803
14 5TG5 JW8 0.0332 0.40394 2.04082
15 1DQN IMU 0.01791 0.41171 2.17391
16 3NJ4 AFX 0.008457 0.44525 2.30263
17 1E5Q NDP 0.0001304 0.43969 2.30263
18 3NJ4 NAD 0.01742 0.4301 2.30263
19 1V8B NAD 0.004163 0.41729 2.30263
20 1QO8 FAD 0.006455 0.41531 2.30263
21 2D2I NAP 0.002444 0.41507 2.30263
22 3B20 NAD 0.002576 0.41104 2.30263
23 2ZAT NAP 0.00002292 0.4648 2.30769
24 3JUT GTQ 0.0298 0.42788 2.30769
25 4JK3 NAD 0.001191 0.41439 2.3166
26 1U25 IHS 0.01756 0.40846 2.37389
27 2BD0 NAP 0.0000006103 0.50656 2.45902
28 1Z6Z NAP 0.0002569 0.45962 2.48227
29 4O1M NAD 0.0002421 0.46068 2.63158
30 3CMC NAD 0.003066 0.44599 2.63158
31 1LUA NAP 0.002331 0.42257 2.63158
32 1OMO NAD 0.001912 0.41622 2.63158
33 1TI7 NAP 0.004496 0.41046 2.63158
34 3GFB NAD 0.001286 0.40825 2.63158
35 3ODU ITD 0.02741 0.40631 2.63158
36 4XFR CIT 0.02916 0.40544 2.63158
37 1H5Q NAP 0.0000007589 0.50996 2.64151
38 3ROE THM 0.02491 0.40437 2.64151
39 1GMN IDS SGN IDS SGN IDS 0.01634 0.41786 2.73224
40 3X01 AMP 0.03015 0.40662 2.79898
41 4BG4 ARG 0.02131 0.41586 2.96053
42 4MIG G3F 0.01582 0.40349 2.96053
43 2VVM FAD 0.01101 0.40346 2.96053
44 3V1U NAD 0.01997 0.40267 2.96053
45 2PD4 DCN 0.001215 0.43858 3.27273
46 2PD4 NAD 0.001329 0.43695 3.27273
47 2CFC NAD 0.0000002633 0.53757 3.28947
48 5N9X THR 0.03343 0.4049 3.28947
49 3JV7 NAD 0.001118 0.40118 3.28947
50 5JE8 NAD 0.001973 0.41067 3.31126
51 2PV7 NAD 0.0009309 0.41276 3.3557
52 1WP4 NDP 0.001633 0.40485 3.46021
53 1FK8 NAD 0.000003923 0.51643 3.50195
54 4FC7 COA 0.00001407 0.52957 3.61011
55 4FC7 NAP 0.00001407 0.52957 3.61011
56 1ZBQ NAD 0.00002451 0.44978 3.61842
57 2DFV NAD 0.001272 0.42816 3.61842
58 2VVG ADP 0.03166 0.40771 3.61842
59 4QED NAP 0.0000002741 0.53035 3.62903
60 1O68 KIV 0.02513 0.40829 3.63636
61 4L8V NAP 0.003989 0.41072 3.85757
62 5ITV NAI 0.0000009421 0.50766 3.92157
63 3JU6 ARG 0.01053 0.43401 3.94737
64 2FZW NAD 0.002537 0.43374 3.94737
65 1FEC FAD 0.008624 0.41342 3.94737
66 3UCL NAP 0.02436 0.40623 3.94737
67 3UCL CYH 0.02371 0.40505 3.94737
68 3UCL FAD 0.02371 0.40505 3.94737
69 1ZMD NAI 0.003324 0.40192 3.94737
70 5UAO FAD 0.01139 0.40089 3.94737
71 1YXM ADE 0.0001122 0.54185 3.9604
72 1N5D NDP 0.00001672 0.46203 4.16667
73 2WD7 NAP 0.0000002996 0.57782 4.27632
74 2YY7 NAD 0.000003738 0.53687 4.27632
75 1GET NAP 0.007251 0.43028 4.27632
76 1MUU NAD 0.0007768 0.42612 4.27632
77 1MV8 NAD 0.0007985 0.42014 4.27632
78 1GET FAD 0.02191 0.4072 4.27632
79 3OJO NAD 0.004388 0.40469 4.27632
80 1O6Z NAD 0.001244 0.4237 4.29043
81 1W8D NAP 0.0000002596 0.57098 4.30464
82 1W73 NAP 0.0000002834 0.56945 4.30464
83 4TQG NDP 0.0000002811 0.57895 4.60526
84 1GY8 NAD 0.000007207 0.47471 4.60526
85 1GZ6 NAI 0.0001387 0.43056 4.60526
86 2GDZ NAD 0.006761 0.42915 4.60526
87 2XVE FAD 0.0222 0.40391 4.60526
88 5DP2 NAP 0.005923 0.40096 4.60526
89 2VUT NAD 0.007749 0.40041 4.65116
90 2WSB NAD 0.000001326 0.57066 4.72441
91 3QWI NAP 0.000001021 0.49789 4.81482
92 3QWI CUE 0.00000229 0.44309 4.81482
93 5KAX RHQ 0.03321 0.40191 4.81928
94 5MSO NAP 0.0000008206 0.53262 4.93421
95 4GLL NAD 0.000006315 0.52926 4.93421
96 1I2B UPG 0.001946 0.47758 4.93421
97 1I2B USQ 0.001946 0.47758 4.93421
98 1I2B NAD 0.001946 0.47758 4.93421
99 5L4S NAP 0.000006473 0.44202 4.93421
100 5L4S 6KX 0.000006473 0.44202 4.93421
101 4CNK FAD 0.007511 0.40858 4.93421
102 4R5M NAP 0.001534 0.40196 4.93421
103 4RQU NAD 0.001222 0.4012 4.93421
104 3WV8 ATP 0.004659 0.4131 5.04587
105 2VT3 ATP 0.005656 0.42813 5.26316
106 3I6I NDP 0.00002947 0.4169 5.26316
107 1E7S NAP 0.02285 0.40751 5.26316
108 1E3W NAD 0.000001098 0.50948 5.36398
109 2F1K NAP 0.001716 0.40741 5.37634
110 1E6W NAD 0.000002143 0.49976 5.38462
111 3AFN NAP 0.000003893 0.5397 5.42636
112 1ZEM NAD 0.0000001292 0.56456 5.72519
113 4K26 NDP 0.000004425 0.48368 5.7971
114 4K26 SFF 0.00001046 0.4342 5.7971
115 3VZS NAP 0.000004991 0.42849 5.83658
116 3RJ5 NAD 0.000004689 0.44684 5.90551
117 5IN4 NAP 0.00003183 0.57607 5.92105
118 5IN4 6CK 0.00003125 0.57607 5.92105
119 5IN4 GDP 0.00003294 0.57414 5.92105
120 4PIV NDP 0.0000175 0.45999 5.92105
121 1EBF NAD 0.001353 0.42224 5.92105
122 1SC6 NAD 0.005579 0.40728 5.92105
123 3V1Y NAD 0.0003854 0.43263 5.93472
124 1JNR FAD 0.01068 0.42546 6
125 1XKQ NDP 0.00000966 0.46228 6.07143
126 2JKG PRO PRO PRO PRO PRO PRO PRO PRO 0.01855 0.40681 6.14525
127 3D3W NAP 0.00001135 0.46155 6.14754
128 1PR9 NAP 0.01561 0.41622 6.14754
129 4J4H NAI 0.002504 0.43679 6.17761
130 4J4H 1J1 0.002504 0.43679 6.17761
131 2FR1 NDP 0.000001565 0.49141 6.25
132 1JJV ATP 0.02152 0.41386 6.31068
133 4D42 NAP 0.0001188 0.49742 6.38298
134 4D42 W0I 0.0001188 0.49742 6.38298
135 5L95 AMP 0.008743 0.40124 6.45161
136 3H8V ATP 0.006407 0.41042 6.50685
137 2HK9 ATR 0.001579 0.45993 6.54545
138 4U7W NDP 0.0000005804 0.53262 6.57895
139 1RKX NAD 0.00001105 0.46824 6.57895
140 1PL6 NAD 0.0007492 0.44348 6.57895
141 3CH6 NAP 0.000009082 0.55663 6.64336
142 3CH6 311 0.000009082 0.55663 6.64336
143 5CAE COA 0.002222 0.41361 6.70927
144 3O26 NDP 0.000002476 0.49542 6.90789
145 4DPL NAP 0.0007435 0.40704 6.90789
146 3AY6 NAI 0.000001363 0.46672 7.0632
147 3AY6 BGC 0.000004434 0.40814 7.0632
148 3MJE NDP 0.000003212 0.49196 7.23684
149 1GEE NAD 0.0000001806 0.53693 7.27969
150 4HXY NDP 0.0000006811 0.50915 7.30594
151 1VI2 NAD 0.005075 0.4051 7.33333
152 1JAY NAP 0.002156 0.42058 7.54717
153 4EUE NAI 0.0003078 0.41429 7.56579
154 3H4V DVP 0.0000002748 0.60292 7.63889
155 3H4V NAP 0.0000008491 0.58043 7.63889
156 4J1Q NDP 0.0000007044 0.56052 7.89474
157 4WOE 3S5 0.015 0.42518 7.89474
158 1W6U NAP 0.0000004923 0.55985 7.94702
159 2DC1 NAD 0.002086 0.40084 8.05085
160 4Q9N NAI 0.000135 0.47267 8.05369
161 1AE1 NAP 0.000002091 0.55092 8.05861
162 2YVJ NAI 0.008002 0.40614 8.08823
163 1BXK NAD 0.000003096 0.49984 8.22368
164 1Y1P NMN AMP PO4 0.00004655 0.48523 8.22368
165 1WMA NDP 0.00003828 0.40009 8.33333
166 1WMA AB3 0.00003828 0.40009 8.33333
167 1BW9 NAD 0.003682 0.41091 8.42697
168 2X6T NAP 0.00009162 0.44026 8.55263
169 1EQ2 NAP 0.00009926 0.43866 8.55263
170 2DKN NAI 0.0000005644 0.52728 8.62745
171 1CER NAD 0.0007306 0.42239 8.76133
172 1RPN NDP 0.000001289 0.46672 8.88158
173 5H81 NAP 0.003373 0.41249 8.88158
174 2CVQ NDP 0.001274 0.40375 8.88158
175 1ORR NAD 0.0000002712 0.50823 9.21053
176 3VY6 BGC BGC 0.02552 0.41071 9.21986
177 1NFQ NAI 0.000003448 0.54013 9.23077
178 3OJF NDP 0.0001642 0.41065 9.33852
179 1E6E FAD 0.00598 0.41066 9.375
180 3CIF NAD 0.0003524 0.45243 9.53947
181 3CIF G3H 0.002013 0.42939 9.53947
182 1TE2 PGA 0.003835 0.45587 9.73451
183 3QV1 NAD 0.0004566 0.43534 9.7561
184 4ZA2 NAD 0.000009147 0.48445 10.2767
185 1U7T NAD 0.000002093 0.51239 10.3448
186 1U7T TDT 0.000002321 0.44236 10.3448
187 2WYV NAD 0.0008044 0.41147 10.3448
188 3WXB NDP 0.000002454 0.48838 10.3943
189 4J36 1HR 0.005443 0.41944 10.5263
190 4J36 FAD 0.003309 0.41794 10.5263
191 5C79 PBU 0.04365 0.40015 10.6667
192 3ABI NAD 0.00004262 0.45117 10.8553
193 5KKA 6V0 0.000464 0.40643 11.5132
194 1YJQ NAP 0.0002968 0.40358 11.5512
195 2PZM NAD 0.00005032 0.50704 11.8421
196 2PZM UDP 0.00005032 0.50704 11.8421
197 3O03 NAP 0.02161 0.4025 12.0275
198 1XSE NDP 0.000001387 0.45279 12.2034
199 3ORF NAD 0.00001892 0.46929 12.3506
200 3OID NDP 0.0000000972 0.6063 12.4031
201 2Q1W NAD 0.00000594 0.46478 12.8289
202 4NBT NAD 0.000003021 0.50188 12.9167
203 2B4Q NAP 0.00001238 0.4743 13.0435
204 2GZ3 NAP 0.0008675 0.45869 13.1579
205 5LD5 NAD 0.001008 0.43076 13.1579
206 4D3F NAP 0.005427 0.40389 13.1579
207 2AE2 NAP 0.000001303 0.45494 13.4615
208 2AE2 PTO 0.000001303 0.45494 13.4615
209 2DTX BMA 0.007222 0.43806 13.6364
210 2F5Z FAD 0.01306 0.40301 14.0625
211 4JBI NDP 0.002046 0.41003 14.1447
212 1GEG NAD 0.000003374 0.49348 14.4531
213 2EXX NAP 0.00000557 0.46036 14.4737
214 5AYV KPL 0.006292 0.40862 14.4737
215 2G5C NAD 0.002076 0.40115 14.4737
216 4CQM NAP 0.0000006402 0.51753 14.5594
217 2B4R NAD 0.0007071 0.40335 14.8026
218 1O5I NAD 0.00001247 0.52438 15.261
219 3LU1 NAD 0.000002253 0.49598 15.3846
220 1VL8 NAP 0.000001625 0.48567 15.4605
221 1WDK NAD 0.003403 0.4092 15.4605
222 4PVD NDP 0.000001672 0.5227 15.7895
223 1XHL NDP 0.03212 0.4007 15.8249
224 4J7U YTZ 0.0001793 0.48215 15.9722
225 4J7U NAP 0.0001793 0.48215 15.9722
226 2Q2V NAD 0.000001658 0.48644 16.0784
227 2C29 NAP 0.0000001971 0.45526 16.1184
228 2C29 DQH 0.0000008927 0.43895 16.1184
229 3JQ9 NAP 0.0000003369 0.57787 17.7083
230 3JQF NAP 0.00000006605 0.55122 17.7083
231 3BMQ NAP 0.00000007039 0.55025 17.7083
232 3JQB NAP 0.000000231 0.54724 17.7083
233 3JQ8 NAP 0.0000000927 0.54651 17.7083
234 3JQA NAP 0.0000002816 0.54418 17.7083
235 3JQG NAP 0.0000003036 0.54291 17.7083
236 4CMI NAP 0.0000001851 0.54269 17.7083
237 3BMN NAP 0.0000001213 0.54225 17.7083
238 3BMO NAP 0.0000001904 0.54218 17.7083
239 4CM9 NAP 0.0000001272 0.54189 17.7083
240 4CM8 NAP 0.0000002355 0.53908 17.7083
241 4CM4 NAP 0.0000002625 0.53748 17.7083
242 4CLR NAP 0.0000002645 0.5373 17.7083
243 4CME NAP 0.0000002834 0.5364 17.7083
244 4CLO NAP 0.0000005421 0.53371 17.7083
245 3JQ7 NAP 0.0000006327 0.53095 17.7083
246 4ZRN NAD 0.000001672 0.47714 18.4211
247 4ZRN UPG 0.000002344 0.414 18.4211
248 3NUG NAD 0.000001955 0.49612 18.6235
249 1EZ4 NAD 0.0007629 0.42136 20.0658
250 2E5V FAD 0.009525 0.40894 22.0395
251 1CF2 NAP 0.001159 0.42823 23.6842
252 3A4V NAD 0.000001214 0.47067 25
253 3A4V PYR 0.000001214 0.47067 25
254 1LSS NAD 0.00149 0.43082 26.4286
255 3C1O NAP 0.00162 0.4191 31.9079
256 1HDO NAP 0.00001664 0.4495 35.4369
257 2Q46 NAP 0.0000002034 0.54078 36.7589
Pocket No.: 2; Query (leader) PDB : 5L4L; Ligand: 7OX; Similar sites found: 153
This union binding pocket(no: 2) in the query (biounit: 5l4l.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1FWV SGA MAG FUC 0.03905 0.41239 None
2 1Q7B NAP 0.000009125 0.50839 1.63934
3 4RDZ MYR 0.01399 0.40993 1.64474
4 3R9V DXC 0.01765 0.40474 1.74825
5 5L53 NAP 0.00004759 0.50939 1.97368
6 1DQN IMU 0.04095 0.40678 2.17391
7 1E5Q NDP 0.002362 0.41738 2.30263
8 2ZAT NAP 0.0002528 0.45243 2.30769
9 3JUT GTQ 0.04731 0.42788 2.30769
10 2BD0 NAP 0.00001436 0.49308 2.45902
11 2BD0 BIO 0.02046 0.42929 2.45902
12 3ODU ITD 0.04028 0.41101 2.63158
13 4N9Z V3L 0.04628 0.40724 2.63158
14 1H5Q NAP 0.0000211 0.49048 2.64151
15 2CFC NAD 0.000006314 0.51885 3.28947
16 2CFC KPC 0.04473 0.41085 3.28947
17 1DBT U5P 0.01936 0.40334 3.34728
18 1B09 PC 0.03338 0.40963 3.39806
19 1FK8 NAD 0.00001432 0.51776 3.50195
20 4FC7 COA 0.0001764 0.4439 3.61011
21 4FC7 NAP 0.0001764 0.4439 3.61011
22 1ZBQ NAD 0.001739 0.41478 3.61842
23 4QED NAP 0.000005874 0.51582 3.62903
24 5ITV NAI 0.00003812 0.48067 3.92157
25 3TDC 0EU 0.000609 0.44482 3.94737
26 4XNV BUR 0.01897 0.43644 3.94737
27 1YXM ADE 0.000232 0.54185 3.9604
28 1N5D NDP 0.0003137 0.44572 4.16667
29 2WD7 NAP 0.000009477 0.45562 4.27632
30 2YY7 NAD 0.000101 0.42981 4.27632
31 1W8D NAP 0.00001445 0.52222 4.30464
32 1W73 NAP 0.00001618 0.52015 4.30464
33 4TQG NDP 0.000009955 0.45513 4.60526
34 1GY8 NAD 0.0003 0.44646 4.60526
35 1GZ6 NAI 0.001571 0.419 4.60526
36 2WSB NAD 0.00000334 0.50236 4.72441
37 3QWI NAP 0.00004897 0.47306 4.81482
38 3QWI CUE 0.00004839 0.44191 4.81482
39 5MSO NAP 0.00001734 0.5099 4.93421
40 5L4S NAP 0.0001201 0.44363 4.93421
41 5L4S 6KX 0.0001201 0.44363 4.93421
42 4GLL NAD 0.000197 0.42269 4.93421
43 2VT3 ATP 0.02715 0.40896 5.26316
44 3I6I NDP 0.00103 0.40769 5.26316
45 3AI3 SOL 0.02966 0.41834 5.32319
46 1E3W NAD 0.00006304 0.47583 5.36398
47 1E6W NAD 0.00004124 0.48298 5.38462
48 3AFN NAP 0.0001236 0.43302 5.42636
49 1ZEM NAD 0.000007747 0.52416 5.72519
50 4K26 NDP 0.00003057 0.48433 5.7971
51 4K26 SFF 0.00002331 0.46022 5.7971
52 3VZS NAP 0.00004726 0.43335 5.83658
53 3RJ5 NAD 0.00001563 0.46997 5.90551
54 5IN4 NAP 0.0005718 0.47912 5.92105
55 5IN4 6CK 0.0005613 0.47912 5.92105
56 5IN4 GDP 0.0005594 0.47849 5.92105
57 4PIV NDP 0.0008425 0.42933 5.92105
58 1XKQ NDP 0.000202 0.44693 6.07143
59 2JKG PRO PRO PRO PRO PRO PRO PRO PRO 0.01951 0.41375 6.14525
60 3D3W NAP 0.0002139 0.44601 6.14754
61 1PR9 NAP 0.00009358 0.43719 6.14754
62 2FR1 NDP 0.00008429 0.4642 6.25
63 4D42 W0I 0.0007218 0.42904 6.38298
64 4D42 NAP 0.0007218 0.42904 6.38298
65 2HK9 ATR 0.02366 0.41567 6.54545
66 4U7W NDP 0.00001392 0.50948 6.57895
67 1RKX NAD 0.0001751 0.45539 6.57895
68 3CH6 NAP 0.00002221 0.49407 6.64336
69 3CH6 311 0.00002221 0.49407 6.64336
70 3O26 NDP 0.00005441 0.47831 6.90789
71 3AY6 NAI 0.00001969 0.471 7.0632
72 3AY6 BGC 0.00005476 0.41407 7.0632
73 3MJE NDP 0.00007567 0.47275 7.23684
74 5CX6 CDP 0.02499 0.42473 7.23684
75 1GEE NAD 0.000005156 0.51801 7.27969
76 4HXY NDP 0.00005326 0.47512 7.30594
77 3H4V DVP 0.00001028 0.48781 7.63889
78 3H4V NAP 0.00002527 0.47265 7.63889
79 4J1Q NDP 0.00001521 0.44515 7.89474
80 1W6U NAP 0.000007759 0.53361 7.94702
81 1AE1 NAP 0.00008405 0.43861 8.05861
82 1Y1P NMN AMP PO4 0.0001431 0.48425 8.22368
83 1BXK NAD 0.0001295 0.46712 8.22368
84 1WMA NDP 0.00006446 0.43135 8.33333
85 1WMA AB3 0.00006446 0.43135 8.33333
86 1EQ2 NAP 0.003613 0.40759 8.55263
87 2X6T NAP 0.00373 0.40705 8.55263
88 3EXS 5RP 0.03021 0.41012 8.59729
89 2DKN NAI 0.000009998 0.51098 8.62745
90 2W68 SIA GAL BGC 0.02762 0.41478 8.71795
91 1RPN NDP 0.00009082 0.45071 8.88158
92 1EK6 UPG 0.00003928 0.40431 8.88158
93 1EK6 NAI 0.00007461 0.40429 8.88158
94 1ORR NAD 0.00002815 0.47861 9.21053
95 1NFQ NAI 0.0000438 0.44541 9.23077
96 3OJF NDP 0.001297 0.41218 9.33852
97 3OJF IMJ 0.0007253 0.40422 9.33852
98 1TE2 PGA 0.007041 0.45646 9.73451
99 4ZA2 NAD 0.00004745 0.48431 10.2767
100 1U7T NAD 0.00003648 0.4927 10.3448
101 1U7T TDT 0.0001223 0.42891 10.3448
102 2WYV NAD 0.002468 0.41402 10.3448
103 3WXB NDP 0.00007145 0.47025 10.3943
104 3ABI NAD 0.001307 0.42473 10.8553
105 2PZM UDP 0.001306 0.41399 11.8421
106 2PZM NAD 0.001306 0.41399 11.8421
107 1XSE NDP 0.000009583 0.46877 12.2034
108 3ORF NAD 0.0001054 0.47064 12.3506
109 3OID NDP 0.000009266 0.46908 12.4031
110 2Q1W NAD 0.0004554 0.43386 12.8289
111 4NBT NAD 0.00004187 0.48645 12.9167
112 2B4Q NAP 0.00005939 0.47683 13.0435
113 5LD5 NAD 0.007366 0.41066 13.1579
114 2AE2 NAP 0.00001604 0.46195 13.4615
115 2AE2 PTO 0.00001604 0.46195 13.4615
116 3N7S 3N7 0.02167 0.43132 13.913
117 1GEG NAD 0.00004688 0.48082 14.4531
118 2EXX NAP 0.0001931 0.44473 14.4737
119 4CQM NAP 0.00001323 0.50213 14.5594
120 1O5I NAD 0.0001167 0.50148 15.261
121 3LU1 NAD 0.00007075 0.47389 15.3846
122 1VL8 NAP 0.0000972 0.45869 15.4605
123 4PVD NDP 0.000008681 0.52215 15.7895
124 4J7U YTZ 0.001057 0.41624 15.9722
125 4J7U NAP 0.001057 0.41624 15.9722
126 2Q2V NAD 0.00004437 0.47129 16.0784
127 2C29 DQH 0.00000117 0.48412 16.1184
128 2C29 NAP 0.000002379 0.4749 16.1184
129 3JQ7 NAP 0.000005247 0.52646 17.7083
130 3JQF NAP 0.000003311 0.52547 17.7083
131 3BMQ NAP 0.000003418 0.52494 17.7083
132 3JQB NAP 0.000006679 0.52226 17.7083
133 3JQ8 NAP 0.000004064 0.52202 17.7083
134 3JQG NAP 0.000006967 0.52153 17.7083
135 3JQA NAP 0.000007808 0.51954 17.7083
136 3BMO NAP 0.000006701 0.51783 17.7083
137 3BMN NAP 0.00000541 0.5172 17.7083
138 4CM9 NAP 0.000005573 0.5167 17.7083
139 4CMI NAP 0.000007971 0.51486 17.7083
140 4CM8 NAP 0.000008897 0.51297 17.7083
141 4CLR NAP 0.000009083 0.51262 17.7083
142 4CM4 NAP 0.000009894 0.51116 17.7083
143 4CLO NAP 0.00001267 0.51112 17.7083
144 4CME NAP 0.00001061 0.50996 17.7083
145 3JQ9 NAP 0.00001025 0.45857 17.7083
146 4ZRN NAD 0.0001532 0.44839 18.4211
147 4ZRN UPG 0.00005329 0.41605 18.4211
148 3NUG NAD 0.00003306 0.48303 18.6235
149 3A4V NAD 0.00004202 0.46255 25
150 3A4V PYR 0.00004202 0.46255 25
151 1LSS NAD 0.008901 0.41284 26.4286
152 1HDO NAP 0.00002285 0.47852 35.4369
153 2Q46 NAP 0.000003213 0.53041 36.7589
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