Receptor
PDB id Resolution Class Description Source Keywords
3CGB 1.9 Å EC: 1.-.-.- PYRIDINE NUCLEOTIDE COMPLEXES WITH BACILLUS ANTHRACIS COENZY DISULFIDE REDUCTASE: A STRUCTURAL ANALYSIS OF DUAL NAD(P)H S PECIFICITY BACILLUS ANTHRACIS STR. COENZYME A FLAVIN ADENINE DINUCLEOTIDE SELENOMETHIONINE FFLAVOPROTEIN OXIDOREDUCTASE
Ref.: PYRIDINE NUCLEOTIDE COMPLEXES WITH BACILLUS ANTHRAC COENZYME A-DISULFIDE REDUCTASE: A STRUCTURAL ANALYS DUAL NAD(P)H SPECIFICITY. BIOCHEMISTRY V. 47 5182 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COA A:445;
B:445;
Invalid;
Invalid;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
FAD A:446;
B:446;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CGB 1.9 Å EC: 1.-.-.- PYRIDINE NUCLEOTIDE COMPLEXES WITH BACILLUS ANTHRACIS COENZY DISULFIDE REDUCTASE: A STRUCTURAL ANALYSIS OF DUAL NAD(P)H S PECIFICITY BACILLUS ANTHRACIS STR. COENZYME A FLAVIN ADENINE DINUCLEOTIDE SELENOMETHIONINE FFLAVOPROTEIN OXIDOREDUCTASE
Ref.: PYRIDINE NUCLEOTIDE COMPLEXES WITH BACILLUS ANTHRAC COENZYME A-DISULFIDE REDUCTASE: A STRUCTURAL ANALYS DUAL NAD(P)H SPECIFICITY. BIOCHEMISTRY V. 47 5182 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 3CGB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
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 3CGB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 3CGB - 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 : 3CGB; Ligand: FAD; Similar sites found: 487
This union binding pocket(no: 1) in the query (biounit: 3cgb.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2PZM UDP 0.003205 0.40005 0.909091
2 2PZM NAD 0.003205 0.40005 0.909091
3 4J36 FAD 0.00000001736 0.55854 1.20482
4 4J36 1HR 0.0000001272 0.55721 1.20482
5 2JJQ SAH 0.006015 0.43808 1.41176
6 2DKH FAD 0.00000000252 0.58592 1.45833
7 2DKH 3HB 0.00000002493 0.57566 1.45833
8 1N4W FAD 0.000001114 0.52357 1.45833
9 1QMG APX 0.003557 0.42427 1.45833
10 1LLU NAD 0.0007339 0.42359 1.46199
11 5TUK FAD 0.0000003684 0.48959 1.47059
12 4KOA NDP 0.0008721 0.4702 1.5015
13 3DMH SAM 0.001614 0.44595 1.5748
14 3DMH GMP 0.002932 0.41631 1.5748
15 1UWK NAD 0.0006696 0.42639 1.66667
16 2P4Q FLC 0.04337 0.41515 1.66667
17 1M2W NAD 0.007565 0.41016 1.66667
18 4XQC 13D 0.0004802 0.43056 1.68421
19 4XQC NAD 0.0005613 0.42708 1.68421
20 1VQW FAD 0.0000000582 0.54094 1.75055
21 2YG3 FAD 0.0000001677 0.52533 1.766
22 1YKJ FAD 0.0000001317 0.57866 1.77665
23 1YKJ PHB 0.0000001317 0.57866 1.77665
24 2GV8 FAD 0.0000000965 0.56505 1.78971
25 2GVC FAD 0.00000008822 0.53494 1.78971
26 2GV8 NDP 0.000188 0.47519 1.78971
27 3G5S FAD 0.000000003035 0.60388 1.80587
28 1SOW NAD 0.0003654 0.41361 1.82927
29 1MUU NAD 0.00004005 0.49923 1.83486
30 1MV8 NAD 0.00003378 0.42702 1.83486
31 3OFK SAH 0.001401 0.44512 1.85185
32 1E3I CXF 0.001184 0.41126 1.8617
33 4AP3 NAP 0.0000008064 0.54699 1.875
34 4AP3 FAD 0.0000008064 0.54699 1.875
35 4MIG G3F 0.0000004243 0.54546 1.875
36 5UAO FAD 0.0000003408 0.53409 1.875
37 1Z45 NAD 0.0008515 0.43196 1.875
38 2IXB NAD 0.001684 0.41785 1.875
39 2BH9 NAP 0.02488 0.40423 1.875
40 3LU1 NAD 0.002432 0.41427 1.92308
41 5HSA FAS 0.0000006897 0.52806 1.96078
42 5JY6 NAD 0.001348 0.41915 1.96629
43 2P41 SAH 0.01074 0.41527 1.96721
44 5DXA SFG 0.01004 0.40485 2.00573
45 1JQ3 AAT 0.0003429 0.43842 2.02703
46 4DMG SAM 0.01434 0.42308 2.03562
47 1X87 NAD 0.0001061 0.40295 2.08333
48 1KPG SAH 0.01156 0.40492 2.09059
49 5O4J 9KH 0.0001578 0.43072 2.18978
50 5O4J SAH 0.0001578 0.43072 2.18978
51 5O4J PJL 0.0003471 0.41467 2.18978
52 2C7G FAD 0.00000007634 0.58045 2.19298
53 2C7G ODP 0.0000002041 0.56344 2.19298
54 3HO6 IHP 0.04718 0.40721 2.24719
55 1UXG NAD 0.0001089 0.44642 2.26537
56 4NEC SAH 0.02026 0.40859 2.27273
57 2EV9 NAP 0.0002865 0.41339 2.28137
58 2EV9 SKM 0.0002865 0.41339 2.28137
59 1OBB NAD 0.001216 0.44097 2.29167
60 2FR1 NDP 0.0006692 0.43037 2.29167
61 3A1I UNU 0.01758 0.4224 2.29167
62 5EZ7 FAD 0.000002648 0.50444 2.29592
63 1J5P NAD 0.0007491 0.44009 2.37154
64 3CMC NAD 0.002289 0.42135 2.39521
65 2CFC NAD 0.003063 0.41292 2.4
66 1D1T NAD 0.0004988 0.40786 2.41287
67 1CER NAD 0.00009061 0.48063 2.41692
68 3BMO NAP 0.004253 0.40729 2.43056
69 4CMI NAP 0.004351 0.4069 2.43056
70 3BMQ NAP 0.003946 0.4061 2.43056
71 3JQF NAP 0.00399 0.40591 2.43056
72 4CM4 NAP 0.004626 0.40585 2.43056
73 3JQA NAP 0.007085 0.40092 2.43056
74 2CVQ NDP 0.00232 0.41768 2.44648
75 5EOW FAD 0.00000001162 0.56937 2.46914
76 2BRY FAD 0.000000007004 0.57059 2.5
77 4TXI FAD 0.00000001244 0.55726 2.5
78 3S5W FAD 0.0000001019 0.52344 2.5
79 5WGR FAD 0.0000002476 0.52009 2.5
80 1O0S NAI 0.0003016 0.47034 2.5
81 3S5W NAP 0.000004042 0.40003 2.5
82 1H2B NAJ 0.0006726 0.42759 2.50696
83 5EVY FAD 0.00001718 0.5238 2.51142
84 1KEV NDP 0.002863 0.40203 2.5641
85 3ZNN FAD 0.0000007664 0.54453 2.59366
86 3ZNN 4WL 0.0000007664 0.54453 2.59366
87 3WGT QSC 0.0000009129 0.53337 2.59366
88 3WGT FAD 0.0000008411 0.53337 2.59366
89 4EUE NAI 0.0005549 0.40751 2.63158
90 2EG5 SAH 0.0113 0.42452 2.68817
91 5TUF FAD 0.00000007804 0.57821 2.68949
92 5TUF TDC 0.0000005399 0.43803 2.68949
93 4ZCC NAI 0.0000002539 0.55619 2.70833
94 4ZCC FAD 0.0000002539 0.55619 2.70833
95 2E5V FAD 0.00000001195 0.59388 2.75424
96 3U31 NAD 0.003873 0.42577 2.75862
97 1GZ6 NAI 0.003252 0.40692 2.82132
98 2I7C AAT 0.001167 0.41874 2.82686
99 1SB8 NAD 0.002341 0.40866 2.84091
100 1SB8 UD2 0.002988 0.4082 2.84091
101 2F1K NAP 0.00004087 0.49472 2.86738
102 4ZRN NAD 0.001802 0.40936 2.88462
103 2O4C NAD 0.0004191 0.40548 2.89474
104 3JV7 NAD 0.0002409 0.45324 2.89855
105 4MOP 2H5 0.0000004302 0.54907 2.91667
106 1Y8Q ATP 0.00001654 0.51974 2.91667
107 1H5Q NAP 0.0005377 0.43678 2.91667
108 5HJM MTA 0.01299 0.40839 2.91667
109 3S1S SAH 0.009652 0.40559 2.91667
110 3QJ4 FAD 0.0000001069 0.54346 2.92398
111 3A27 SAM 0.0004636 0.47862 2.94118
112 4YUW 4JU 0.003951 0.42788 2.96053
113 4YUW S4M 0.003957 0.42741 2.96053
114 3V1Y NAD 0.00008526 0.4817 2.96736
115 1CF2 NAP 0.00005949 0.42272 2.96736
116 2RGJ FAD 0.00000001567 0.5597 2.98507
117 4G74 FAD 0.00000000003315 0.67843 2.98805
118 4G74 UQ5 0.0000000001404 0.57909 2.98805
119 4MDH NAD 0.004242 0.40987 2.99401
120 3BAZ NAP 0.00242 0.42535 3.003
121 2GZ3 NAP 0.003921 0.40139 3.00546
122 1V6A TRE 0.007939 0.45078 3.01205
123 1KOL NAD 0.0007048 0.41424 3.01508
124 4YCA NDP 0.00007357 0.48431 3.06122
125 5H81 NAP 0.003852 0.42588 3.08483
126 3IHG FAD 0.000000003073 0.56113 3.125
127 4RDH AMP 0.00002071 0.55313 3.125
128 2JB2 FAD 0.0000006154 0.51161 3.125
129 2JB2 PHE 0.0000006816 0.50458 3.125
130 1COY FAD 0.000001058 0.49378 3.125
131 3WE0 FAD 0.000001373 0.48116 3.125
132 5TE1 7A2 0.02308 0.42014 3.125
133 1COY AND 0.000007354 0.41764 3.125
134 4HXY NDP 0.0002516 0.41515 3.19635
135 3NJ4 NAD 0.003249 0.43598 3.21839
136 3NJ4 AFX 0.006715 0.42314 3.21839
137 1GV0 NAD 0.0001175 0.42207 3.22581
138 1GUZ NAD 0.0001323 0.41617 3.22581
139 5MZI FAD 0.00000001357 0.61207 3.2538
140 5MZI FYK 0.00000001465 0.61207 3.2538
141 1SQF SAM 0.007864 0.42158 3.2634
142 1HGX 5GP 0.02589 0.41747 3.27869
143 2CDC XYS 0.00404 0.41134 3.27869
144 2CDC NAP 0.00404 0.41134 3.27869
145 2CDC XYP 0.004674 0.40895 3.27869
146 4BJZ P3A 0.0000007312 0.55753 3.30189
147 4BJZ FAD 0.001239 0.46494 3.30189
148 2DT5 NAD 0.0001102 0.46989 3.31754
149 1NYT NAP 0.0008358 0.44451 3.32103
150 1RYI FAD 0.0000002694 0.54253 3.33333
151 1RYI GOA 0.002552 0.43313 3.33333
152 5JJR SAH 0.006913 0.42418 3.33333
153 2IVD FAD 0.0000001981 0.54485 3.34728
154 2YGM GLA NAG GAL FUC 0.04641 0.40384 3.38983
155 2R4J 13P 0.0000004786 0.54737 3.39321
156 2R4J FAD 0.0000004786 0.46031 3.39321
157 3C6K SPD 0.001281 0.40536 3.41207
158 3C6K MTA 0.001281 0.40536 3.41207
159 5UAV TFB 0.0008321 0.41173 3.41615
160 5UAV NDP 0.0008321 0.41173 3.41615
161 2PT9 2MH 0.000884 0.40577 3.42679
162 2VVM FAD 0.0000001073 0.55506 3.43434
163 2VVL FAD 0.0000001409 0.52184 3.43434
164 4M38 SAH 0.00108 0.45374 3.49854
165 4DSG FAD 0.00001321 0.50159 3.5124
166 4DSG UDP 0.00001321 0.50159 3.5124
167 4EIP FAD 0.0000001089 0.56409 3.54167
168 4EIP K2C 0.0000001089 0.56409 3.54167
169 4REP FAD 0.0000004438 0.53171 3.54167
170 1NAA 6FA 0.0000007423 0.48815 3.54167
171 1NAA ABL 0.000001445 0.44357 3.54167
172 1VL8 NAP 0.002567 0.40605 3.54167
173 5M67 3D1 0.0002527 0.44467 3.54906
174 5M67 NAD 0.0002535 0.44462 3.54906
175 5M67 ADE 0.0002554 0.4445 3.54906
176 1J49 NAD 0.0001238 0.41632 3.6036
177 1W73 NAP 0.0008665 0.44718 3.64238
178 3A25 SAM 0.001431 0.45593 3.65448
179 3DXY SAM 0.001482 0.47292 3.66972
180 2V57 PRL 0.01855 0.4291 3.68421
181 1PS9 FAD 0.0000000007012 0.6341 3.75
182 1YY5 FAD 0.00000002744 0.58259 3.75
183 1RSG FAD 0.00000006256 0.56662 3.75
184 3NKS FAD 0.000000338 0.53253 3.75
185 4C3Y FAD 0.000001411 0.51704 3.75
186 4C3Y ANB 0.000003824 0.50832 3.75
187 3TLJ SAH 0.002745 0.42912 3.75
188 1PS9 NAP 0.00008335 0.4126 3.75
189 1NVM NAD 0.000376 0.44271 3.76812
190 2B4R NAD 0.0000803 0.42985 3.76812
191 2B4R AES 0.0002287 0.41198 3.76812
192 1WP4 NDP 0.001486 0.42815 3.80623
193 1R6D NAD 0.002743 0.41037 3.85757
194 1R6D DAU 0.003155 0.40733 3.85757
195 1HYH NAD 0.00007458 0.46954 3.8835
196 9LDB NAD 0.00007644 0.46913 3.91566
197 9LDT NAD 0.00007247 0.4322 3.91566
198 2VYN NAD 0.00004222 0.43083 3.92749
199 1GAD NAD 0.0001917 0.40333 3.93939
200 3OJO NAD 0.000003943 0.43854 3.94432
201 1LDM NAD 0.0003945 0.44493 3.95137
202 2ZXI FAD 0.000000004169 0.59907 3.95833
203 4D04 NAP 0.000001097 0.54405 3.95833
204 4D04 FAD 0.000001097 0.54405 3.95833
205 1GQ2 NAP 0.0003731 0.449 3.96396
206 3KU0 ADE 0.009573 0.44848 3.98406
207 5BUK FAD 0.0000000007573 0.63845 4
208 3GFB NAD 0.001405 0.42913 4
209 1E5Q NDP 0.006112 0.40106 4
210 3HVJ 705 0.001255 0.40809 4.0724
211 4USQ FAD 0.00000003105 0.55492 4.15512
212 3AYI FAD 0.00000004388 0.4907 4.16089
213 3AYI HCI 0.0000000477 0.48572 4.16089
214 2AQJ TRP 0.0000001843 0.56866 4.16667
215 2AQJ FAD 0.0000001981 0.56865 4.16667
216 4YNU FAD 0.000001108 0.52504 4.16667
217 4YNU LGC 0.000001612 0.52441 4.16667
218 1ZQ9 SAM 0.0002133 0.49424 4.16667
219 3OND ADN 0.0002691 0.44268 4.16667
220 3CIF NAD 0.00004431 0.43068 4.17827
221 3CIF G3H 0.0004944 0.41033 4.17827
222 1DSS NAD 0.00002251 0.4279 4.2042
223 1E3W NAD 0.0005228 0.44018 4.21456
224 1WQ1 AF3 0.04969 0.40403 4.21687
225 1E6W NAD 0.001278 0.42512 4.23077
226 4MO2 FDA 0.000002924 0.49987 4.34783
227 4MO2 FAD 0.000002581 0.49638 4.34783
228 1WDK NAD 0.00004719 0.40826 4.35897
229 4HA6 FAD 0.00000009662 0.51684 4.375
230 4IV9 FAD 0.0000004718 0.51064 4.375
231 3A4T SFG 0.001061 0.45041 4.37956
232 3WLE NAD 0.001036 0.40846 4.39883
233 3K7M FAD 0.00000006144 0.47945 4.40835
234 1P77 ATR 0.00004561 0.57108 4.41176
235 1DXY NAD 0.00007845 0.41513 4.5045
236 1YRO UDP 0.02877 0.42361 4.54545
237 2Q3M MLA 0.03932 0.41346 4.60123
238 4CNK FAD 0.00000000268 0.60776 4.60358
239 2FN8 RIP 0.04582 0.40887 4.62046
240 1YJQ NAP 0.0005318 0.40872 4.62046
241 3H9E NAD 0.0001339 0.47371 4.62428
242 1JNR FAD 0.0000000468 0.60615 4.66667
243 1XCL SAH 0.002589 0.40827 4.68085
244 1C0I BE2 0.009289 0.41256 4.6832
245 1C0I FAD 0.009289 0.41256 4.6832
246 3NYC IAR 0.0000001772 0.47626 4.72441
247 3NYC FAD 0.0000001772 0.47626 4.72441
248 4DPL NAP 0.003166 0.40981 4.73538
249 3OZ2 FAD 0.000000003571 0.57985 4.78589
250 1V8B NAD 0.0001807 0.43445 4.80167
251 3B1F NAD 0.000049 0.40517 4.82759
252 5AYV KPL 0.0009284 0.40647 4.85437
253 2VDV SAM 0.001699 0.46521 4.87805
254 3LST SAH 0.02808 0.40821 4.88506
255 5BVA FAD 0.0000000006128 0.64175 4.88998
256 1F3L SAH 0.00754 0.41308 4.98442
257 1GPE FAD 0.0000003779 0.5432 5
258 3QVP FAD 0.0000006084 0.53294 5
259 4J4H 1J1 0.0009464 0.42196 5.01931
260 4J4H NAI 0.0009464 0.42196 5.01931
261 4JK3 NAD 0.00004806 0.42104 5.01931
262 1HKU NAD 0.0004001 0.44169 5.02793
263 1LDN NAD 0.00006364 0.43317 5.06329
264 1I8T FAD 0.000003027 0.5024 5.17711
265 4W6Z 8ID 0.001436 0.40355 5.18732
266 2RGH FAD 0.000001051 0.52008 5.20833
267 3GDN HBX 0.000005681 0.50685 5.20833
268 3GDN FAD 0.000003207 0.50581 5.20833
269 1NPD NAD 0.0007604 0.44958 5.20833
270 4RPL FAD 0.000005011 0.52021 5.26316
271 4RPL 3UC 0.0000105 0.51077 5.26316
272 2Q1S NAI 0.0005399 0.42769 5.30504
273 3GDH SAH 0.004118 0.41859 5.39419
274 1KNR FAD 0.00000001578 0.58444 5.41667
275 5EB4 FAD 0.000001936 0.51071 5.41667
276 4OPC PGT 0.0000003863 0.5904 5.51876
277 4OPC FDA 0.0000003002 0.58986 5.51876
278 5BR7 FLC 0.000008272 0.51014 5.59796
279 5BR7 FAD 0.000008521 0.50966 5.59796
280 2GMH FAD 0.00000000482 0.56865 5.625
281 5MBX FAD 0.0000002967 0.55744 5.625
282 5MBX SP5 0.0000002967 0.55744 5.625
283 3UCL NAP 0.0000007162 0.55599 5.625
284 3UCL CYH 0.0000007134 0.55312 5.625
285 3UCL FAD 0.0000007134 0.55312 5.625
286 1E1M FAD 0.00000005937 0.58192 5.65217
287 1E1M NAP 0.00000005937 0.4808 5.65217
288 1I0Z NAI 0.0003112 0.44892 5.70571
289 1LSS NAD 0.000003746 0.43253 5.71429
290 2NU5 NAG 0.03009 0.4131 5.7377
291 2HYR BGC GLC 0.02909 0.41261 5.7377
292 2GUC MAN 0.0356 0.40493 5.7377
293 2Y6Q I7T 0.00000008755 0.56751 5.77889
294 2Y6Q FAD 0.00000001028 0.5602 5.77889
295 1ZBQ NAD 0.000753 0.42844 5.8104
296 1KYQ NAD 0.000005701 0.41414 5.83942
297 3VYW SAM 0.001149 0.45254 5.84416
298 4TM3 FAD 0.000001422 0.54466 5.86907
299 5ITV NAI 0.0004886 0.40522 5.88235
300 3GF4 FAD 0.00001666 0.41595 5.89744
301 3GF4 UPG 0.0000123 0.40955 5.89744
302 2XVE FAD 0.000002806 0.52674 6.03448
303 2XVF FAD 0.0000008025 0.51944 6.03448
304 4RSL FAD 0.00000417 0.49129 6.06742
305 1H82 GZZ 0.0000002379 0.56792 6.14407
306 1H82 FAD 0.0000001666 0.56792 6.14407
307 1BW9 NAD 0.0001022 0.49487 6.17978
308 1BXG NAD 0.0001498 0.4103 6.17978
309 1C1X NAD 0.0001025 0.47844 6.19718
310 1C1X HFA 0.008608 0.43432 6.19718
311 2QA1 FAD 0.0000000003447 0.64827 6.25
312 2O07 MTA 0.0004078 0.45068 6.25
313 2O07 SPD 0.0005572 0.43911 6.25
314 1QD0 RR6 0.03299 0.40463 6.25
315 4NTC FAD 0.000000001003 0.62859 6.26866
316 3MB5 SAM 0.001372 0.44207 6.27451
317 3NOJ PYR 0.02495 0.40291 6.30252
318 3EGI ADP 0.001218 0.49379 6.31068
319 2QRK AMP 0.002259 0.4003 6.34518
320 3G2O SAM 0.002029 0.44889 6.35452
321 5G3U FDA 0.000000145 0.54709 6.38298
322 5G3U ITW 0.00000141 0.52129 6.38298
323 3WV8 ATP 0.00002083 0.40705 6.42202
324 3LE7 ADE 0.04595 0.40423 6.51341
325 1D4O NAP 0.006669 0.40447 6.52174
326 3L4S 3PG 0.000948 0.40104 6.54762
327 3L4S NAD 0.0007718 0.40104 6.54762
328 3WBF NAP 0.0004178 0.44705 6.55738
329 3WBF API 0.001131 0.41924 6.55738
330 3ABI NAD 0.0004298 0.44349 6.57534
331 3FPZ AHZ 0.001218 0.46902 6.74847
332 1PN0 IPH 0.00000001795 0.59535 6.875
333 1PN0 FAD 0.00000001632 0.59535 6.875
334 3OA2 NAD 0.002256 0.41816 6.91824
335 1F8G NAD 0.009329 0.40902 7.03125
336 2PV7 NAD 0.0002361 0.46019 7.04698
337 3E1T FAD 0.0000000006478 0.5828 7.08333
338 2I3G NAP 0.001324 0.42183 7.10227
339 1Q9I TEO 0.00000001906 0.60403 7.18039
340 1Q9I FAD 0.00000001906 0.48167 7.18039
341 2FK8 SAM 0.007225 0.41689 7.2327
342 5JE8 NAD 0.0005164 0.45318 7.28477
343 1EJ4 M7G 0.04669 0.41748 7.36842
344 3VPH OXM 0.0001199 0.44932 7.41935
345 3VPH NAD 0.0002129 0.44608 7.41935
346 1KEW NAD 0.002929 0.40769 7.47922
347 3HDY FAD 0.000009952 0.40566 7.55667
348 3HDY FDA 0.00001194 0.40363 7.55667
349 3HDY GDU 0.00001264 0.40062 7.55667
350 1JG3 ADN 0.0003592 0.48375 7.65957
351 1SC6 NAD 0.0003569 0.4122 7.67327
352 4AT0 FAD 0.000001839 0.52107 7.70833
353 4MP8 NAD 0.0007072 0.41678 7.70833
354 4OBW SAM 0.004051 0.43497 7.7821
355 1E6E FAD 0.000000007784 0.58483 7.8125
356 5N53 8NB 0.005921 0.45835 8.20513
357 1ELI PYC 0.00003719 0.46276 8.22622
358 3EGV SAH 0.004912 0.43467 8.26772
359 2NXE SAM 0.008011 0.42121 8.26772
360 1SAY PYR 0.0004404 0.41476 8.31025
361 1VE3 SAM 0.0157 0.4076 8.37004
362 2JHF NAD 0.007752 0.42494 8.55615
363 4USR FAD 0.00000004148 0.54527 8.58726
364 3L9W AMP 0.0001488 0.42068 8.71671
365 3L9W GSH 0.0003266 0.4036 8.71671
366 1A5Z NAD 0.00002177 0.52424 8.77743
367 1REO FAD 0.00000004136 0.56794 8.95833
368 1IM8 SAI 0.002531 0.43724 9.01639
369 5TS5 FAD 0.00000005635 0.53482 9.09091
370 5FJN BE2 0.00000003194 0.58178 9.21053
371 5FJN FAD 0.00000002718 0.5795 9.21053
372 3GGO ENO 0.001891 0.40623 9.23567
373 3GGO NAI 0.001891 0.40623 9.23567
374 1D4D FAD 0.000000007438 0.60123 9.26573
375 2VHW NAI 0.0001253 0.43974 9.28382
376 2G5C NAD 0.0001074 0.42308 9.96441
377 3RGG AIR 0.02266 0.41665 10.0629
378 1T26 NAI 0.001379 0.41213 10.559
379 4II2 ATP 0.00002484 0.4108 10.8434
380 4QTU SAM 0.001329 0.45348 11.1111
381 3G89 SAM 0.0008247 0.48069 11.245
382 1GTE FAD 0.00000002419 0.4693 11.25
383 1EZ4 NAD 0.0001675 0.40708 11.3208
384 5E8J SAH 0.001979 0.46193 11.3636
385 5BXV MGP 0.04357 0.41687 11.3636
386 2BD0 NAP 0.003112 0.40526 11.4754
387 1RM4 NDP 0.0002608 0.40429 11.5727
388 2FKA BEF 0.002133 0.46684 11.6279
389 5ODQ FAD 0.0000000103 0.59449 11.6667
390 1HDG NAD 0.0002101 0.46938 11.747
391 3B1J NAD 0.0002399 0.45331 11.7994
392 1FNZ A2G 0.01818 0.4285 11.8143
393 1J0X NAD 0.0003133 0.43613 12.6506
394 4YSX FAD 0.00000001064 0.59049 12.766
395 1GEG NAD 0.001268 0.42525 13.2812
396 1O94 ADP 0.00000000338 0.67543 13.3333
397 1DJN ADP 0.000000006921 0.51842 13.3333
398 3QV1 NAD 0.00004466 0.4182 13.3531
399 2QES ADE 0.01817 0.43157 13.41
400 5I39 FAD 0.0000001798 0.54381 13.4804
401 2Q1W NAD 0.0004099 0.43838 13.5135
402 1FEC FAD 0.0000000002664 0.65831 13.75
403 2RGO FAD 0.0000004706 0.52752 13.75
404 1C3V NDP 0.001534 0.41939 14.2857
405 1U7T TDT 0.001457 0.41024 14.5594
406 2HMT NAI 0.000001881 0.44489 14.5833
407 1LTH NAD 0.00003347 0.42032 15.047
408 4R6W PC 0.003829 0.40424 15.1163
409 2IYL GDP 0.01762 0.42234 15.1408
410 2IID FAD 0.0000000992 0.47209 15.4167
411 2IID PHE 0.0000000992 0.47209 15.4167
412 4NBT NAD 0.003935 0.40862 15.4167
413 1RP0 AHZ 0.00000003563 0.54157 15.493
414 1QO8 FAD 0.000000001235 0.62725 15.625
415 4RQU NAD 0.0002459 0.40817 15.7333
416 4J56 FAD 0.0000000005047 0.64477 15.8333
417 2A92 NAI 0.0006882 0.40449 16.1994
418 3SQP FAD 0.00000001971 0.66796 16.9456
419 2HQM FAD 0.0000000006395 0.63742 17.3278
420 1MO9 KPC 0.000000004249 0.65139 17.5
421 1MO9 FAD 0.000000006298 0.64376 17.5
422 1BZL FAD 0.00000002669 0.63084 17.5
423 4JNA FAD 0.000000001306 0.58119 17.9412
424 1VDC FAD 0.00000002942 0.58609 18.018
425 2WPF FAD 0.000000002212 0.67288 18.5417
426 2WPF WPF 0.000000003377 0.66819 18.5417
427 5JCA FAD 0.0000000009508 0.63129 18.5417
428 5JCA NDP 0.000000004851 0.63129 18.5417
429 3LZW FAD 0.0000000056 0.58707 18.6747
430 3LZW NAP 0.00000003082 0.47139 18.6747
431 3P2E SAH 0.01534 0.40224 19.1111
432 3QFA FAD 0.0000000003145 0.60048 19.1667
433 5KMS FAD 0.00000000006047 0.65792 19.375
434 5KMS NAD 0.000000001789 0.64353 19.375
435 2NVK FAD 0.000000001685 0.62062 21.4583
436 2YVF FAD 0.00000000002117 0.71827 21.5686
437 2YVF NAD 0.00000000002321 0.71827 21.5686
438 2YVJ FAD 0.000000000003423 0.70663 21.5686
439 2YVJ NAI 0.0000007224 0.43507 21.5686
440 1FL2 FAD 0.0000000007611 0.62893 22.2581
441 3LAD FAD 0.000000002235 0.61809 22.479
442 5U8U FAD 0.0000000005507 0.67067 23.0769
443 4EMJ FAD 0.000000000008073 0.69834 23.9024
444 4EMI FAD 0.000000000003832 0.69523 23.9024
445 4EMI NAD 0.00000000003778 0.53628 23.9024
446 3RNM FAD 0.0000000003645 0.64799 24.1667
447 2F5Z FAD 0.0000000003644 0.64799 24.4726
448 1ZMD FAD 0.0000000003126 0.59339 24.4726
449 1ZMD NAI 0.000000978 0.56609 24.4726
450 1V59 FAD 0.0000000001897 0.66183 24.477
451 1V59 NAD 0.00000002881 0.43868 24.477
452 3AD8 NAD 0.000000005731 0.58006 24.5049
453 3AD8 PYC 0.00000207 0.5366 24.5049
454 3AD8 FAD 0.00000207 0.5366 24.5049
455 5JWC FAD 0.00000000001552 0.67264 25.7198
456 5JCM FAD 0.00000000004826 0.70921 25.7206
457 5JCM NAD 0.00000000005254 0.70921 25.7206
458 5JCM ISD 0.00000000005254 0.70921 25.7206
459 3FG2 FAD 0.00000000008071 0.68372 25.9901
460 4M52 FAD 0.0000000004993 0.64124 26.6094
461 2V6O FAD 0.000000004522 0.4521 26.6667
462 2A8X FAD 0.0000000005772 0.58617 26.7241
463 1GET FAD 0.000000002247 0.64882 26.875
464 1GET NAP 0.000000002596 0.64882 26.875
465 2Q7V FAD 0.00000000002785 0.63984 26.875
466 1TDF FAD 0.000000003682 0.61716 26.8987
467 1TDF NAP 0.00000004623 0.60334 26.8987
468 4JDR FAD 0.0000000001171 0.62047 27.0042
469 1Q1R FAD 0.000000000003586 0.70592 27.7083
470 3ITJ FAD 0.0000000314 0.50723 28.1065
471 3ITJ CIT 0.009295 0.43557 28.1065
472 1ZK7 FAD 0.00000000004036 0.60716 28.9079
473 4UP3 FAD 0.0000000009224 0.62797 29.9363
474 2Q0L FAD 0.000000002209 0.57978 30.2251
475 2Q0L NAP 0.0004187 0.49011 30.2251
476 3KLJ FAD 0.0000000000002061 0.7211 31.1688
477 3F8D FAD 0.0000001863 0.58022 31.5789
478 3AB1 FAD 0.000000001511 0.5918 33.6111
479 1LVL NAD 0.0000001228 0.62954 35.3712
480 1LVL FAD 0.000000001307 0.57426 35.3712
481 2CDU FAD 0.00000000000001232 0.78476 44.5833
482 2CDU ADP 0.0000001756 0.4465 44.5833
483 3NTD FAD 0.000000000000001221 0.82934 46.25
484 3NT6 FAD 0.000000000000003886 0.81215 46.4583
485 3NTA FAD 0.00000000000000111 0.81607 46.6667
486 2NPX FAD 0.000000000008767 0.69239 48.9933
487 2NPX NAD 0.00000000007215 0.54262 48.9933
Pocket No.: 2; Query (leader) PDB : 3CGB; 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: 3cgb.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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