Receptor
PDB id Resolution Class Description Source Keywords
4J56 2.37 Å EC: 1.8.1.9 STRUCTURE OF PLASMODIUM FALCIPARUM THIOREDOXIN REDUCTASE-THI COMPLEX PLASMODIUM FALCIPARUM PROTEIN-PROTEIN COMPLEX THIOREDOXIN FOLD OXIDOREDUCTASE DREDUCTASE FAD BINDING NADPH BINDING THIOREDOXIN BINDING
Ref.: CRYSTAL STRUCTURE OF THE PLASMODIUM FALCIPARUM THIO REDUCTASE-THIOREDOXIN COMPLEX. J.MOL.BIOL. V. 425 3446 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD D:600;
B:600;
A:600;
C:600;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4J56 2.37 Å EC: 1.8.1.9 STRUCTURE OF PLASMODIUM FALCIPARUM THIOREDOXIN REDUCTASE-THI COMPLEX PLASMODIUM FALCIPARUM PROTEIN-PROTEIN COMPLEX THIOREDOXIN FOLD OXIDOREDUCTASE DREDUCTASE FAD BINDING NADPH BINDING THIOREDOXIN BINDING
Ref.: CRYSTAL STRUCTURE OF THE PLASMODIUM FALCIPARUM THIO REDUCTASE-THIOREDOXIN COMPLEX. J.MOL.BIOL. V. 425 3446 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4J57 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 4J56 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
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 4J57 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 4J56 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4J57 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 4J56 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 3QFA - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 119
No: Ligand ECFP6 Tc MDL keys Tc
1 FAS 1 1
2 FAD 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 DAL FAD PER 0.772414 0.951807
7 FAE 0.751773 0.987654
8 SFD 0.651007 0.860215
9 FDA 0.641892 0.906977
10 FNK 0.602564 0.876405
11 62F 0.572327 0.939024
12 F2N 0.566265 0.886364
13 FMN 0.543307 0.876543
14 FA9 0.526316 0.939759
15 6YU 0.516304 0.860215
16 CNV FAD 0.511905 0.908046
17 P6G FDA 0.511628 0.908046
18 FAD NBT 0.508876 0.83871
19 A2D 0.504065 0.875
20 P5F 0.491329 0.941176
21 FAD CNX 0.488506 0.8125
22 APR 0.488372 0.851852
23 AR6 0.488372 0.851852
24 AGS 0.484615 0.811765
25 SAP 0.484615 0.811765
26 M33 0.484375 0.864198
27 BA3 0.484127 0.875
28 FAD NBA 0.480663 0.802083
29 ATP 0.48062 0.851852
30 B4P 0.480315 0.875
31 ADP 0.480315 0.851852
32 AP5 0.480315 0.875
33 ANP 0.477273 0.831325
34 AQP 0.476923 0.851852
35 5FA 0.476923 0.851852
36 48N 0.469388 0.902439
37 OAD 0.467626 0.876543
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AD9 0.462121 0.831325
41 3OD 0.460993 0.876543
42 RBF 0.460938 0.790123
43 FB0 0.460606 0.835165
44 139 0.460526 0.858824
45 AP0 0.46 0.835294
46 A22 0.459854 0.864198
47 ACP 0.458015 0.853659
48 8QN 0.456522 0.864198
49 PRX 0.454545 0.831325
50 A1R 0.453237 0.86747
51 G3A 0.452055 0.902439
52 T5A 0.45098 0.872093
53 G5P 0.44898 0.902439
54 ATF 0.448529 0.821429
55 50T 0.44697 0.819277
56 ACQ 0.444444 0.853659
57 PAJ 0.442857 0.847059
58 ADQ 0.442857 0.853659
59 5AL 0.441176 0.864198
60 ADX 0.439394 0.775281
61 CA0 0.439394 0.853659
62 A4P 0.437909 0.831461
63 25L 0.4375 0.864198
64 P33 FDA 0.436464 0.817204
65 5SV 0.435714 0.793103
66 TXE 0.434211 0.890244
67 OMR 0.434211 0.818182
68 ABM 0.434109 0.829268
69 A 0.433071 0.82716
70 AMP 0.433071 0.82716
71 4AD 0.432624 0.855422
72 ADJ 0.432258 0.818182
73 BIS 0.430556 0.802326
74 SRA 0.429688 0.788235
75 AFH 0.42953 0.825581
76 TXD 0.427632 0.890244
77 NXX 0.427632 0.865854
78 UP5 0.427632 0.878049
79 DND 0.427632 0.865854
80 6V0 0.427632 0.857143
81 SRP 0.42446 0.843373
82 PR8 0.423611 0.837209
83 TAT 0.423358 0.821429
84 AMO 0.422535 0.865854
85 PTJ 0.42069 0.835294
86 FYA 0.42069 0.864198
87 TXA 0.42069 0.865854
88 CNA 0.420382 0.865854
89 00A 0.41958 0.823529
90 AHX 0.41958 0.835294
91 MAP 0.41844 0.811765
92 NAI 0.418301 0.845238
93 AU1 0.41791 0.831325
94 AP2 0.416667 0.843373
95 A12 0.416667 0.843373
96 25A 0.415493 0.851852
97 AMP MG 0.415385 0.785714
98 COD 0.415094 0.842697
99 ADP BEF 0.414815 0.77907
100 BEF ADP 0.414815 0.77907
101 4TC 0.412903 0.879518
102 APC 0.411765 0.843373
103 NB8 0.410959 0.835294
104 ME8 0.410959 0.806818
105 1ZZ 0.410959 0.806818
106 4UW 0.409091 0.825581
107 NAX 0.409091 0.837209
108 RBY 0.408759 0.843373
109 ADV 0.408759 0.843373
110 ADP MG 0.407407 0.797619
111 P1H 0.405882 0.818182
112 OOB 0.405594 0.864198
113 A A 0.40411 0.829268
114 LAD 0.40411 0.825581
115 UPA 0.403846 0.86747
116 4UU 0.401316 0.833333
117 A3D 0.401235 0.876543
118 DLL 0.4 0.864198
119 XAH 0.4 0.806818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4J56; Ligand: FAD; Similar sites found: 506
This union binding pocket(no: 1) in the query (biounit: 4j56.bio1) has 45 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3G5S FAD 0.00000001718 0.58988 1.3544
2 5DN9 NAD 0.001326 0.42416 1.92308
3 1YKF NAP 0.001794 0.42675 1.98864
4 2X3N FAD 0.00000018 0.55332 2.50627
5 5EVY FAD 0.000006953 0.55038 2.63158
6 3LST SAH 0.01911 0.41953 2.63158
7 4ZFL 4NK 0.01524 0.40609 2.63158
8 1CER NAD 0.0002463 0.47112 3.02115
9 4U60 SIA GAL NGA 0.03014 0.41244 3.21429
10 4U60 SIA 0.03686 0.4098 3.21429
11 4EIP K2C 0.000001406 0.49997 3.27869
12 4EIP FAD 0.000001406 0.48815 3.27869
13 4AR8 IP8 GLY PRO ALA 0.03649 0.40215 3.29949
14 2IVD FAD 0.000000004697 0.61512 3.34728
15 2Q1S NAI 0.001164 0.40036 3.44828
16 5TUF FAD 0.0000003182 0.56628 3.50877
17 1PN0 FAD 0.0000001526 0.51372 3.50877
18 1PN0 IPH 0.0000001626 0.50822 3.50877
19 1ZQ9 SAM 0.001023 0.47027 3.50877
20 2B4R NAD 0.0004921 0.44615 3.50877
21 2B4R AES 0.001443 0.43051 3.50877
22 5TUF TDC 0.000007657 0.42838 3.50877
23 4UTU LRY 0.02302 0.41542 3.50877
24 2I3G NAP 0.00376 0.41155 3.50877
25 4UTW RFW 0.02862 0.40743 3.50877
26 5KKA 6V0 0.001615 0.42338 3.51201
27 5JJR SAH 0.02096 0.40804 3.51201
28 3V1Y NAD 0.0002844 0.46851 3.56083
29 3NKS FAD 0.00000002808 0.58223 3.56394
30 2Q1W NAD 0.0004244 0.44577 3.6036
31 2VVL FAD 0.00000005084 0.55597 3.63636
32 2VVM FAD 0.00000003947 0.53444 3.63636
33 4YMH SAH 0.002222 0.44703 3.75
34 2BRY FAD 0.00000007307 0.49738 3.82294
35 5EZ7 FAD 0.0000004038 0.53292 3.82653
36 3IHG FAD 0.00000002889 0.48904 3.92523
37 4XFR CIT 0.01469 0.4437 4.21546
38 2CH5 NDG 0.02104 0.42092 4.32277
39 2CH5 NAG 0.03246 0.41111 4.32277
40 3EGI ADP 0.001902 0.49062 4.36893
41 4TXI FAD 0.0000001356 0.58056 4.38596
42 4K5S FAD 0.0000001533 0.57371 4.38596
43 5BUK FAD 0.000000007785 0.57077 4.38596
44 1REO FAD 0.0000000114 0.54833 4.38596
45 1Q9I FAD 0.00000002283 0.50388 4.38596
46 1Q9I TEO 0.00000002283 0.50388 4.38596
47 4K5S PM0 0.000004472 0.46368 4.38596
48 3H9E NAD 0.0006376 0.45387 4.38596
49 1I0Z NAI 0.0006772 0.44359 4.38596
50 1GQ2 NAP 0.001674 0.43067 4.38596
51 1P31 EPU 0.02726 0.40257 4.38596
52 3OA2 NAD 0.001835 0.42905 4.40252
53 5U5G NAP 0.002092 0.42675 4.43623
54 4ZNO SUC 0.02321 0.42139 4.47761
55 2XWL CTP 0.009952 0.42675 4.4843
56 4ZRN NAD 0.002621 0.41062 4.48718
57 1UAY ADN 0.002541 0.46378 4.54545
58 4E5N NAD 0.001121 0.43215 4.54545
59 3GFB NAD 0.0007596 0.44756 4.57143
60 5MZI FAD 0.000003835 0.43591 4.62107
61 5MZI FYK 0.000004105 0.43219 4.62107
62 1LLU NAD 0.00203 0.41478 4.67836
63 5EOW FAD 0.00000002694 0.5973 4.69136
64 1J5P NAD 0.001293 0.43807 4.74308
65 5HJM MTA 0.01548 0.41134 4.82955
66 3VPH NAD 0.0004217 0.44306 4.83871
67 3VPH OXM 0.0003799 0.43935 4.83871
68 1HYH NAD 0.000511 0.44551 4.85437
69 1YXM ADE 0.01889 0.42734 4.9505
70 3GDH SAH 0.007577 0.41413 4.97925
71 4ZCC NAI 0.00000006158 0.51368 5.05952
72 4ZCC FAD 0.00000006158 0.51368 5.05952
73 4YDU ADP 0.01513 0.40361 5.06329
74 5KJW 53C 0.02915 0.42378 5.15223
75 3B1F NAD 0.0000862 0.50674 5.17241
76 2IID FAD 0.00000005356 0.50245 5.22088
77 2IID PHE 0.00000005356 0.50245 5.22088
78 2BES RES 0.03906 0.40691 5.23256
79 3NTA FAD 0.0000000007526 0.63321 5.26316
80 3F8D FAD 0.000000002678 0.61767 5.26316
81 3NT6 FAD 0.0000000004704 0.58616 5.26316
82 3NTD FAD 0.0000000005955 0.58385 5.26316
83 4REP FAD 0.00000002612 0.57435 5.26316
84 2C7G FAD 0.0000000395 0.56192 5.26316
85 2C7G ODP 0.00000006988 0.5523 5.26316
86 4X9M FAD 0.0000002731 0.53498 5.26316
87 3AYI FAD 0.00000002996 0.51921 5.26316
88 3AYI HCI 0.00000003288 0.51392 5.26316
89 1MUU NAD 0.0000682 0.49838 5.26316
90 2DKH FAD 0.00000009044 0.49662 5.26316
91 2DKH 3HB 0.0000006835 0.4911 5.26316
92 1JG3 ADN 0.0007189 0.47753 5.26316
93 3Q9T FAY 0.000002239 0.47384 5.26316
94 2RC8 DSN 0.01294 0.44678 5.26316
95 1SQF SAM 0.005297 0.43645 5.26316
96 1V6A TRE 0.01924 0.436 5.26316
97 1C3V NDP 0.001929 0.42292 5.26316
98 4BG4 ARG 0.03442 0.41826 5.26316
99 1WOQ BGC 0.03868 0.41054 5.26316
100 1KEV NDP 0.002643 0.41049 5.26316
101 4H2D FMN 0.01884 0.41024 5.26316
102 3OZ2 FAD 0.000000003535 0.59985 5.28967
103 4DMG SAM 0.01299 0.43177 5.34351
104 2PV7 NAD 0.0004809 0.45572 5.36913
105 3S5W FAD 0.0000004929 0.4658 5.39957
106 1LDM NAD 0.0008455 0.43975 5.47112
107 5E4R NAP 0.001569 0.43181 5.5102
108 1O0S NAI 0.0006048 0.46517 5.54529
109 5LOG SAH 0.007743 0.42538 5.5794
110 3G89 SAM 0.0009024 0.4864 5.62249
111 1ONX ASP 0.04873 0.41237 5.64103
112 3ESS 18N 0.02101 0.43026 5.65217
113 9LDB NAD 0.000406 0.44943 5.72289
114 3NYC IAR 0.000001361 0.47332 5.77428
115 3NYC FAD 0.000001361 0.47332 5.77428
116 3GD4 NAD 0.00000001353 0.59625 5.87084
117 3GD4 FAD 0.000000009385 0.5856 5.87084
118 4BV6 FAD 0.000000001166 0.58588 5.88235
119 5TS5 FAD 0.000000006552 0.58613 5.99174
120 3BAZ NAP 0.006852 0.41335 6.00601
121 4TM3 FAD 0.000004734 0.50247 6.09481
122 4IV9 FAD 0.00000001332 0.58005 6.09982
123 3LZW FAD 0.000000002738 0.6134 6.14035
124 2RGJ FAD 0.00000007334 0.58587 6.14035
125 5TTJ FAD 0.00000001748 0.58042 6.14035
126 2JB2 FAD 0.00000004722 0.56539 6.14035
127 2JB2 PHE 0.00000006374 0.5567 6.14035
128 3WE0 FAD 0.00000009471 0.53915 6.14035
129 1E1M FAD 0.00000003201 0.51253 6.14035
130 1E1M NAP 0.00000003201 0.51253 6.14035
131 1GPE FAD 0.0000006015 0.50474 6.14035
132 4RSL FAD 0.000005913 0.50245 6.14035
133 3LZW NAP 0.00000004049 0.49163 6.14035
134 1COY FAD 0.000007534 0.48239 6.14035
135 1F8G NAD 0.0007965 0.46355 6.14035
136 2JJQ SAH 0.007728 0.43943 6.14035
137 3DMH SAM 0.005589 0.42875 6.14035
138 1XDS SAM 0.01461 0.42545 6.14035
139 1COY AND 0.00002616 0.42152 6.14035
140 3A1I UNU 0.02708 0.41881 6.14035
141 1OYY AGS 0.02848 0.41764 6.14035
142 1GY8 NAD 0.003192 0.41434 6.14035
143 3BF1 PAU 0.03537 0.40916 6.14035
144 4UCI SAM 0.01739 0.40898 6.14035
145 1HKU NAD 0.0003411 0.45239 6.14525
146 3CTY FAD 0.0000000000313 0.64878 6.26959
147 4CNK FAD 0.00000002344 0.53272 6.39386
148 1KR3 113 0.04311 0.41538 6.46552
149 3OFK SAH 0.007235 0.42063 6.48148
150 4GKV NAD 0.003901 0.40415 6.54762
151 3AXB FAD 0.0000004676 0.53847 6.65434
152 3AXB PRO 0.000001254 0.50542 6.65434
153 1H2B NAJ 0.001765 0.41944 6.68524
154 1XCL SAH 0.002183 0.41833 6.80851
155 2C3W GLC GLC GLC GLC 0.04348 0.4143 6.86275
156 5JWC FAD 0.000000006964 0.61403 7.01754
157 2ZXI FAD 0.000000009448 0.59918 7.01754
158 5G3U FDA 0.0000001333 0.55378 7.01754
159 2XVE FAD 0.0000005578 0.52762 7.01754
160 2XVF FAD 0.00000003981 0.52303 7.01754
161 3QVP FAD 0.0000004184 0.51162 7.01754
162 5EB4 FAD 0.0000002386 0.5099 7.01754
163 5G3U ITW 0.000001396 0.4974 7.01754
164 2HJR APR 0.000219 0.48456 7.01754
165 2Y6Q I7T 0.000004768 0.48256 7.01754
166 2Y6Q FAD 0.0000002378 0.47879 7.01754
167 5LD5 NAD 0.0007296 0.46159 7.01754
168 5KVA SAM 0.001648 0.44942 7.01754
169 3ABI NAD 0.0008081 0.44054 7.01754
170 4XDY NAI 0.001487 0.43852 7.01754
171 2NU8 COA 0.002017 0.43299 7.01754
172 5F8F SFG 0.01169 0.42676 7.01754
173 1WP4 NDP 0.003085 0.42255 7.01754
174 1O8B ABF 0.0306 0.41973 7.01754
175 1YJQ NAP 0.001928 0.41798 7.01754
176 2CVZ NDP 0.006411 0.41198 7.01754
177 1LOB MMA 0.0429 0.41169 7.01754
178 1EQ2 NAP 0.004354 0.41142 7.01754
179 1NYT NAP 0.008538 0.40928 7.01754
180 1IM8 SAI 0.017 0.40664 7.01754
181 2X6T NAP 0.0062 0.4053 7.01754
182 3LM9 ADP 0.04574 0.4033 7.01754
183 4ONQ SFG 0.02993 0.40063 7.01754
184 2DT5 NAD 0.0001345 0.47491 7.109
185 5DX8 SFG 0.01395 0.40517 7.16332
186 5DX1 SFG 0.01268 0.40195 7.16332
187 4D04 NAP 0.000002291 0.50869 7.20887
188 4D04 FAD 0.000002291 0.43273 7.20887
189 1I0B PEL 0.009727 0.43098 7.22892
190 1JNR FAD 0.00000004495 0.5779 7.33333
191 1RP0 AHZ 0.00000004793 0.49597 7.39437
192 1FL2 FAD 0.00000000004838 0.6201 7.41935
193 3E1T FAD 0.000000005099 0.58101 7.42188
194 5D4V SAH 0.001511 0.45111 7.46269
195 2EV9 SKM 0.002622 0.41526 7.60456
196 4XDZ NDP 0.001381 0.44292 7.87172
197 5WGR FAD 0.000000145 0.54444 7.89474
198 4USQ FAD 0.000000004443 0.53861 7.89474
199 2AQJ FAD 0.0000003802 0.5322 7.89474
200 2AQJ TRP 0.0000003536 0.53214 7.89474
201 4DSG UDP 0.0000004591 0.53051 7.89474
202 1KNR FAD 0.0000001042 0.52118 7.89474
203 4HA6 FAD 0.0000007114 0.51025 7.89474
204 1NAA 6FA 0.0000008165 0.50828 7.89474
205 5MBX SP5 0.00000005958 0.50018 7.89474
206 5MBX FAD 0.00000005958 0.50018 7.89474
207 5MQ6 NDP 0.0002193 0.48453 7.89474
208 2F1K NAP 0.0001527 0.47978 7.89474
209 1N4W FAD 0.000004219 0.47932 7.89474
210 1NAA ABL 0.000001199 0.46745 7.89474
211 4DSG FAD 0.0000004591 0.45959 7.89474
212 4CJX NAP 0.002405 0.43269 7.89474
213 5TG5 JW8 0.02407 0.43016 7.89474
214 2I7C AAT 0.001198 0.42336 7.89474
215 3JV7 NAD 0.002264 0.42273 7.89474
216 3TLJ SAH 0.006349 0.42026 7.89474
217 5HS2 CTP 0.01941 0.41584 7.89474
218 1ZGS XMM 0.03628 0.41083 7.89474
219 4JJF FE9 0.005871 0.41105 8.13953
220 1M5W DXP 0.04657 0.41349 8.23045
221 3U31 NAD 0.01438 0.40723 8.62069
222 3WMX NAD 0.005019 0.41643 8.65922
223 4D79 ATP 0.0006501 0.4796 8.69565
224 3WV8 ATP 0.0001057 0.51199 8.7156
225 1PS9 FAD 0.0000000002012 0.61042 8.77193
226 1YY5 FAD 0.000000002578 0.5864 8.77193
227 4GUT FAD 0.000000003683 0.58467 8.77193
228 4FWE FAD 0.000000002586 0.58287 8.77193
229 4GUS FAD 0.000000003483 0.58215 8.77193
230 4HSU FAD 0.000000008286 0.56989 8.77193
231 1RSG FAD 0.000000005331 0.56927 8.77193
232 2WET FAD 0.00000005736 0.5542 8.77193
233 5FJN BE2 0.0000002171 0.52516 8.77193
234 5FJN FAD 0.000000183 0.51987 8.77193
235 5OFW 9TW 0.001316 0.50275 8.77193
236 4J36 FAD 0.0000000646 0.5002 8.77193
237 4J36 1HR 0.000001418 0.49415 8.77193
238 1GTE FAD 0.00000001889 0.49401 8.77193
239 2R4J 13P 0.0000002729 0.4894 8.77193
240 2R4J FAD 0.0000002729 0.4894 8.77193
241 5N53 8NB 0.003051 0.48086 8.77193
242 3FPZ AHZ 0.000828 0.46119 8.77193
243 2OOR NAD 0.001248 0.45482 8.77193
244 5JE8 NAD 0.0008441 0.452 8.77193
245 4KOA NDP 0.007168 0.43366 8.77193
246 1QMG APX 0.005144 0.42429 8.77193
247 1DL5 SAH 0.006062 0.413 8.77193
248 3NOJ PYR 0.008338 0.44532 8.82353
249 2IXB NAD 0.00114 0.43186 9.00901
250 1VE3 SAM 0.02867 0.40152 9.2511
251 4K28 NAD 0.0003789 0.46677 9.29368
252 2GMH FAD 0.00000002285 0.56774 9.42699
253 2B9W FAD 0.0000001411 0.54328 9.64912
254 5I39 FAD 0.0000004568 0.53489 9.64912
255 4BJZ P3A 0.000001781 0.51905 9.64912
256 1A5Z NAD 0.00006029 0.51368 9.64912
257 4C3Y FAD 0.0000008351 0.4964 9.64912
258 1YKJ FAD 0.000007035 0.49197 9.64912
259 4C3Y ANB 0.00000253 0.49159 9.64912
260 1BW9 NAD 0.0001949 0.49089 9.64912
261 1OFL NGK GCD 0.003911 0.48046 9.64912
262 1C1X NAD 0.0002845 0.4685 9.64912
263 1HDG NAD 0.0008402 0.45209 9.64912
264 4RQU NAD 0.0008849 0.44185 9.64912
265 1VI2 NAD 0.003153 0.4368 9.64912
266 1NPD NAD 0.002641 0.43394 9.64912
267 2F5X ASP 0.02299 0.43068 9.64912
268 1YKJ PHB 0.000007035 0.42284 9.64912
269 1G55 SAH 0.01577 0.41097 9.64912
270 2VHW NAI 0.0001419 0.40947 9.64912
271 3I9U DTU 0.04306 0.40454 9.64912
272 4D3F NAP 0.001691 0.44892 9.67742
273 1D4O NAP 0.002759 0.4273 9.78261
274 5TQZ GLC 0.04927 0.40012 10
275 3FVQ ATP 0.01799 0.40829 10.3064
276 1NVM NAD 0.0007106 0.43991 10.4348
277 2GAG NAD 0.00000000007361 0.60543 10.5263
278 3AD8 NAD 0.00000000007715 0.58816 10.5263
279 3AD8 FAD 0.000004969 0.49995 10.5263
280 2GAG FAD 0.00000178 0.49529 10.5263
281 3GMB FAD 0.000000116 0.49494 10.5263
282 3SSO SAH 0.0002602 0.48947 10.5263
283 2GAG FOA 0.000002876 0.48849 10.5263
284 5HSA FAS 0.000006716 0.48409 10.5263
285 3DXY SAM 0.001612 0.47847 10.5263
286 3GF4 FAD 0.000001498 0.46154 10.5263
287 3GF4 UPG 0.000001592 0.45065 10.5263
288 3CBG SAH 0.003543 0.44846 10.5263
289 5E8J SAH 0.01691 0.42223 10.5263
290 3AD8 PYC 0.000004969 0.41827 10.5263
291 3A25 SAM 0.007062 0.43053 10.6312
292 3HDY FAD 0.000002495 0.43756 10.8312
293 3HDY FDA 0.000002805 0.43681 10.8312
294 3HDY GDU 0.000002997 0.43334 10.8312
295 1E6E FAD 0.00000000703 0.54289 10.9375
296 3A4T SFG 0.003581 0.43433 10.9489
297 4USR FAD 0.00000000698 0.52835 11.0803
298 4YRY FAD 0.0000000007299 0.6136 11.4035
299 3AB1 FAD 0.000000002004 0.60833 11.4035
300 1VDC FAD 0.00000000109 0.6037 11.4035
301 2CUL FAD 0.00000003001 0.59063 11.4035
302 4YSX FAD 0.00000002988 0.568 11.4035
303 5TUK FAD 0.0000009125 0.56747 11.4035
304 4YRY NAD 0.000000002114 0.5451 11.4035
305 2E5V FAD 0.0000001279 0.52813 11.4035
306 4YNU FAD 0.0000002352 0.52258 11.4035
307 1I8T FAD 0.0000003415 0.50237 11.4035
308 4YNU LGC 0.0000003118 0.50035 11.4035
309 3WGT FAD 0.0000006724 0.49448 11.4035
310 3WGT QSC 0.000000731 0.48927 11.4035
311 3FUU ADN 0.001137 0.46411 11.4035
312 1ELI PYC 0.00002736 0.44002 11.4035
313 3CV2 OXL 0.04659 0.40825 11.4035
314 2FK8 SAM 0.01703 0.4066 11.6352
315 4D7E FAD 0.00001403 0.48881 11.8299
316 4QTU SAM 0.00376 0.43998 11.8519
317 4MO2 FDA 0.0000001779 0.55351 11.9565
318 4MO2 FAD 0.0000001926 0.54814 11.9565
319 4YCA NDP 0.0001088 0.48593 12.2449
320 1H82 GZZ 0.00000003426 0.57015 12.2807
321 1Y8Q ATP 0.00003149 0.51701 12.2807
322 5UAO FAD 0.0000001056 0.51458 12.2807
323 1H82 FAD 0.00000002251 0.509 12.2807
324 4RDH AMP 0.0002835 0.50642 12.2807
325 4RDI ATP 0.0006913 0.47833 12.2807
326 2VDV SAM 0.001596 0.47395 12.2807
327 4AP3 FAD 0.0000008565 0.45043 12.2807
328 4AP3 NAP 0.0000008565 0.45043 12.2807
329 4U8P FDA 0.000000289 0.44659 12.2807
330 4U8P UDP 0.0000003294 0.43986 12.2807
331 3LU1 NAD 0.001905 0.42572 12.2807
332 1JQ3 AAT 0.001389 0.42339 12.2807
333 2EJU SAH 0.01048 0.42238 12.2807
334 1ZEM NAD 0.003684 0.42205 12.2807
335 1QAN SAH 0.006803 0.42183 12.2807
336 3UOY NAP 0.0000008634 0.52721 12.3845
337 3UOY FAD 0.0000008634 0.43202 12.3845
338 4JNA FAD 0.000000002707 0.59456 12.6471
339 5ULP KB1 0.01437 0.40207 12.6866
340 5H81 NAP 0.003309 0.43586 12.8535
341 3MB5 SAM 0.0007714 0.46053 12.9412
342 3GDN HBX 0.0000007119 0.51481 13.1579
343 3GDN FAD 0.0000003473 0.51101 13.1579
344 3A27 SAM 0.0009883 0.47099 13.1579
345 3VYW SAM 0.00105 0.46186 13.1579
346 5AHO TLA 0.007287 0.45089 13.1579
347 1WQ1 GDP 0.004264 0.43093 13.1579
348 3F81 STT 0.01143 0.42621 13.1579
349 1YBH P22 0.02632 0.41947 13.1579
350 3QMN A3P 0.01348 0.4442 13.1783
351 2QA1 FAD 0.00000003024 0.59051 13.2
352 3QV1 NAD 0.000178 0.4807 13.4146
353 2NPX FAD 0.000000001038 0.63355 13.4228
354 2NPX NAD 0.0000000113 0.50732 13.4228
355 4G74 FAD 0.00000002705 0.58749 13.745
356 4G74 UQ5 0.0000002544 0.50744 13.745
357 1XHC FAD 0.0000000000353 0.60913 13.8965
358 4MIG G3F 0.0000004492 0.5189 14.0351
359 3ZNN 4WL 0.0000007849 0.46204 14.0351
360 3ZNN FAD 0.0000007849 0.46204 14.0351
361 4OBW SAM 0.01565 0.41409 14.0351
362 2YG3 FAD 0.000000004384 0.59664 14.9123
363 4MOP 2H5 0.0000005158 0.48129 14.9123
364 3T4L ZEA 0.004642 0.44279 14.9123
365 1VKO NAD 0.002836 0.41395 14.9123
366 1KPG SAH 0.01353 0.40842 14.9123
367 3W9K MYR 0.03305 0.40742 15.1079
368 2QQD AG2 0.03311 0.42182 15.1786
369 2HMT NAI 0.000004433 0.40622 15.2778
370 5J60 FAD 0.00000000006326 0.65989 15.7895
371 1P77 ATR 0.0005543 0.52017 15.7895
372 5L95 AMP 0.0001377 0.50666 15.7895
373 2OG2 MLI 0.006174 0.44206 15.7895
374 3B9Q MLI 0.01305 0.43614 15.7895
375 5X62 SAH 0.006727 0.43499 15.7895
376 1QRD DQN 0.01325 0.41636 15.7895
377 5MGZ SAH 0.01334 0.41436 15.7895
378 3JUC PCA 0.04492 0.41367 15.7895
379 3CGB FAD 0.0000000005047 0.64477 15.8333
380 3QJ4 FAD 0.00000001257 0.59001 16.0819
381 3CGD COA 0.000000009156 0.60527 16.25
382 3CGD FAD 0.000000009156 0.60527 16.25
383 3CGD NAD 0.000000009156 0.60527 16.25
384 1EZ4 NAD 0.0006497 0.45353 16.3522
385 3LXD FAD 0.0000000008146 0.56413 16.6265
386 3T31 DCQ 0.0000002308 0.53726 16.6667
387 3T31 FAD 0.0000001959 0.53726 16.6667
388 3K7M FAD 0.00000002589 0.51469 16.6667
389 2RGH FAD 0.0000003589 0.50406 16.6667
390 1YQZ FAD 0.000000022 0.49781 17.3516
391 5GZ6 NDP 0.004523 0.43295 17.5439
392 1LJ8 NAD 0.005977 0.42435 17.5439
393 5GZ6 7C3 0.007503 0.41706 17.5439
394 5KOK SAH 0.01237 0.41589 17.5439
395 1M2W NAD 0.009059 0.41345 17.5439
396 4KQ6 DLZ 0.04846 0.40527 17.5439
397 4PX9 ADP 0.03857 0.40094 17.5439
398 5BVA FAD 0.000000001933 0.59047 18.4211
399 2Z3Y F2N 0.000000007818 0.57489 18.4211
400 1QO8 FAD 0.000000003528 0.57483 18.4211
401 1RYI FAD 0.0000002092 0.51486 18.4211
402 4AT0 FAD 0.000001805 0.49768 18.4211
403 2RGO FAD 0.0000003662 0.49423 18.4211
404 2GND MAN 0.002938 0.47999 18.4211
405 2AUY NAG MAN MMA 0.00259 0.46788 18.4211
406 2PHR MAN MAN BMA MAN 0.004204 0.46643 18.4211
407 2PHF MAN MAN BMA MAN 0.00439 0.46542 18.4211
408 2PHF MAN MAN 0.006075 0.46276 18.4211
409 2PHW MAN MAN 0.006841 0.45991 18.4211
410 2PHR MAN MAN 0.00689 0.45974 18.4211
411 2GND MAN MMA 0.007153 0.45884 18.4211
412 5BR7 FAD 0.000000438 0.45647 18.4211
413 2PHT MAN MAN MAN BMA MAN 0.005882 0.45391 18.4211
414 2PHT MAN MAN MAN 0.0124 0.44601 18.4211
415 5BR7 FLC 0.000002027 0.43856 18.4211
416 2GMP NAG MAN 0.03058 0.41924 18.4211
417 2GN3 MMA 0.02482 0.4072 18.4211
418 2GN3 MAN 0.02842 0.40187 18.4211
419 5C2N NAG 0.04018 0.41717 18.75
420 3FG2 FAD 0.0000000006348 0.66421 18.8119
421 2YVJ NAI 0.0000007603 0.61829 18.8725
422 2YVJ FAD 0.000000003454 0.61484 18.8725
423 2YVF NAD 0.00000002238 0.57648 18.8725
424 2YVF FAD 0.00000002063 0.57648 18.8725
425 4EMI FAD 0.0000000006985 0.63436 19.0244
426 4EMJ FAD 0.000000001298 0.57698 19.0244
427 4EMI NAD 0.0000000059 0.50728 19.0244
428 3ICS FAD 0.000000001227 0.57476 19.0388
429 3ICR FAD 0.0000000009836 0.57351 19.0388
430 3ICT FAD 0.000000003689 0.55618 19.0388
431 4M38 SAH 0.002338 0.44602 19.0476
432 1D4D FAD 0.00000001154 0.56174 19.2982
433 5CAE COA 0.001555 0.44388 19.2982
434 3WBF NAP 0.004303 0.41407 19.2982
435 3C8F MT2 0.04798 0.41477 19.5918
436 5FA5 MTA 0.004787 0.44593 20
437 1O94 ADP 0.0000000003294 0.73201 20.1754
438 5JCA FAD 0.0000000002066 0.63192 20.1754
439 3UCL NAP 0.0000002516 0.54678 20.1754
440 3UCL FAD 0.0000002291 0.54513 20.1754
441 3UCL CYH 0.0000002291 0.54513 20.1754
442 5JCA NDP 0.000000004878 0.50449 20.1754
443 1DJN ADP 0.000000000621 0.50426 20.1754
444 1OBB NAD 0.01056 0.40787 20.1754
445 5ODQ FAD 0.000000002184 0.59768 21.0526
446 4Z24 FAD 0.0000001717 0.5343 21.0526
447 3KLJ FAD 0.00000000007878 0.69863 21.2987
448 2GV8 FAD 0.00000001831 0.60358 21.9298
449 1VQW FAD 0.00000004599 0.59356 21.9298
450 2GVC FAD 0.00000001632 0.51722 21.9298
451 4RPL FAD 0.0000002474 0.45631 21.9298
452 2GV8 NDP 0.0009922 0.45231 21.9298
453 4RPL 3UC 0.0000004402 0.44249 21.9298
454 3EGV SAH 0.004879 0.44174 21.9298
455 2NXE SAM 0.005132 0.43711 21.9298
456 2EG5 SAH 0.01128 0.43495 21.9298
457 5BU2 ADP 0.04882 0.40182 21.9298
458 5JCM FAD 0.00000002601 0.57658 22.807
459 5JCM NAD 0.00000002807 0.57658 22.807
460 5JCM ISD 0.00000002807 0.57658 22.807
461 1JAY NAP 0.01704 0.4039 23.1132
462 5KMS FAD 0.00000003169 0.58499 23.4568
463 5KMS NAD 0.0000006771 0.46095 23.4568
464 1D1T NAD 0.002265 0.41771 23.6842
465 2PHN GDP 0.01794 0.40033 23.6842
466 2CDU FAD 0.000000001479 0.56338 24.3363
467 2CDU ADP 0.0000004793 0.40301 24.3363
468 5J7X FAD 0.0000001448 0.55252 24.5614
469 4NBU NAI 0.007145 0.4006 24.5614
470 2QV7 ADP 0.00422 0.44863 25.2226
471 1TDF NAP 0.0000000005778 0.64094 25.4386
472 1TDF FAD 0.0000000001383 0.63144 25.4386
473 3G2O SAM 0.001826 0.45837 25.4386
474 1F8F NAD 0.01007 0.40623 25.4386
475 2O07 MTA 0.001691 0.43329 26.3158
476 2O07 SPD 0.001656 0.42814 26.3158
477 2VOH CIT 0.02901 0.42126 26.9231
478 1N2X SAM 0.007581 0.41687 27.193
479 1Z45 NAD 0.003199 0.41675 27.193
480 5VN0 FAD 0.000000000398 0.64299 27.9923
481 5VN0 NAI 0.0000000341 0.49129 27.9923
482 3B1J NAD 0.0006003 0.44567 28
483 1Q1R FAD 0.0000000009 0.63577 28.7703
484 1LTH NAD 0.0002706 0.47668 29.8246
485 2V3B FAD 0.000000008019 0.60173 32.8125
486 2V3A FAD 0.000000006138 0.55117 32.8125
487 1MO9 KPC 0.00000000001071 0.71156 32.8872
488 1MO9 FAD 0.00000000001237 0.70812 32.8872
489 4NTD FAD 0.000000002169 0.56454 39.4118
490 4NTC FAD 0.0000000004452 0.5991 41.4925
491 4JDR FAD 0.00000000000001099 0.7819 42.616
492 2A8X FAD 0.00000000000003042 0.7534 43.319
493 5U8U FAD 0.00000000000007661 0.61484 43.4511
494 1ZK7 FAD 0.000000000000007438 0.75745 43.8972
495 4M52 FAD 0.00000000000003308 0.75886 43.9914
496 1LVL FAD 0.00000000000006417 0.74268 44.5415
497 1LVL NAD 0.0000008589 0.60247 44.5415
498 3LAD FAD 0.00000000000000655 0.75814 44.7479
499 1V59 FAD 0.000000000000004441 0.77642 46.2343
500 3RNM FAD 0.000000000000004441 0.78113 46.4646
501 1ZMD FAD 0.000000000000006439 0.77557 48.5232
502 2F5Z FAD 0.000000000000004885 0.76746 48.5232
503 1ZMD NAI 0.000001289 0.57153 48.5232
504 2WPF WPF 0.000000000000009326 0.83872 48.6869
505 2WPF FAD 0.0000000000000101 0.83389 48.6869
506 1BZL FAD 0.00000000000006373 0.80594 49.5885
Pocket No.: 2; Query (leader) PDB : 4J56; Ligand: FAD; 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: 4j56.bio1) has 44 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4J56; Ligand: FAD; 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: 4j56.bio2) has 44 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4J56; Ligand: FAD; Similar sites found: 34
This union binding pocket(no: 4) in the query (biounit: 4j56.bio2) has 45 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WZM NA7 0.02527 0.40136 2.82686
2 4U60 SIA GAL BGC NGA GAL 0.04438 0.41467 3.21429
3 5TVA AMP 0.02172 0.4202 3.33333
4 1ZBQ NAD 0.005259 0.40358 3.36391
5 3GL0 HXX 0.0443 0.40404 4.01146
6 4XG0 CIT 0.04177 0.41506 4.21546
7 3KMT SAH 0.04518 0.40045 5.04202
8 4ISS TAR 0.03249 0.4205 5.43478
9 3BBH SFG 0.02331 0.40877 6.14035
10 3C8Z 5CA 0.02398 0.40244 7.01754
11 4XGX ADP 0.01332 0.41743 7.64706
12 2IZ1 ATR 0.004172 0.47526 7.89474
13 5F6U 5VK 0.04659 0.41199 7.89474
14 4JJF N2I 0.008237 0.40037 8.13953
15 4NEC SAH 0.03729 0.40168 8.77193
16 1M0S CIT 0.04844 0.40878 9.13242
17 3WXL ADP 0.03939 0.40832 9.45946
18 1BW9 PPY 0.01458 0.4255 9.64912
19 1C1X HFA 0.03606 0.40872 9.64912
20 3G2Y GF4 0.0406 0.41341 9.88593
21 4YMX ARG 0.0456 0.4067 10
22 4PW3 MSS 0.01658 0.40714 11.1111
23 4GDX GLU 0.02843 0.42507 11.4035
24 3AB4 LYS 0.04849 0.40876 12.9213
25 1SNN 5RP 0.04233 0.40508 13.1579
26 1US5 GLU 0.01847 0.42385 14.0351
27 4BNU 9KQ 0.01412 0.40758 14.0351
28 4XGU ADP 0.03424 0.4006 14.9123
29 2PHW MAN MAN MAN BMA MAN MAN MAN 0.01118 0.43919 18.4211
30 3KO0 TFP 0.03382 0.41364 18.8119
31 2F6U CIT 0.02688 0.42689 20.1754
32 2NU5 NAG 0.01804 0.44364 24.5902
33 2HYR BGC GLC 0.02284 0.43296 24.5902
34 1ZOS MTM 0.03983 0.40024 27.8261
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