Receptor
PDB id Resolution Class Description Source Keywords
1QRD 2.4 Å EC: 1.6.5.2 QUINONE REDUCTASE/FAD/CIBACRON BLUE/DUROQUINONE COMPLEX RATTUS RATTUS QUINONE-REDUCTASE (CYTOSOLIC) OXIDOREDUCTASE FLAVOPROTEIN
Ref.: THE THREE-DIMENSIONAL STRUCTURE OF NAD(P)H:QUINONE REDUCTASE, A FLAVOPROTEIN INVOLVED IN CANCER CHEMOP AND CHEMOTHERAPY: MECHANISM OF THE TWO-ELECTRON RED PROC.NATL.ACAD.SCI.USA V. 92 8846 1995
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CBD A:275;
B:275;
Invalid;
Invalid;
none;
none;
submit data
774.157 C29 H20 Cl N7 O11 S3 c1ccc...
DQN A:276;
B:276;
Valid;
Valid;
none;
none;
submit data
164.201 C10 H12 O2 CC1=C...
FAD A:274;
B:274;
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
1QRD 2.4 Å EC: 1.6.5.2 QUINONE REDUCTASE/FAD/CIBACRON BLUE/DUROQUINONE COMPLEX RATTUS RATTUS QUINONE-REDUCTASE (CYTOSOLIC) OXIDOREDUCTASE FLAVOPROTEIN
Ref.: THE THREE-DIMENSIONAL STRUCTURE OF NAD(P)H:QUINONE REDUCTASE, A FLAVOPROTEIN INVOLVED IN CANCER CHEMOP AND CHEMOTHERAPY: MECHANISM OF THE TWO-ELECTRON RED PROC.NATL.ACAD.SCI.USA V. 92 8846 1995
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1QRD - DQN C10 H12 O2 CC1=C(C(=O....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1QBG - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 1KBO - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 3JSX ic50 = 7.7 nM CC2 C22 H18 O3 Cc1cc2c(cc....
4 1KBQ Ki = 0.45 uM 936 C18 H16 N2 O6 Cc1c(c2c(n....
5 1H66 - RH1 C12 H14 N2 O3 CC1=C(C(=O....
6 4CET Kd = 428 nM FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 1H69 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 1D4A - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 1GG5 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 5EA2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
11 5A4K Kd = 155 nM FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
12 1DXO - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 1QRD - DQN C10 H12 O2 CC1=C(C(=O....
50% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2QX9 Kd = 0.7 uM ML2 C13 H15 I N2 O2 CC(=O)NCCc....
2 3OWX ic50 = 17600 nM XRA C19 H21 N5 O4 COc1cc2c(c....
3 3TE7 ic50 = 59 nM TE7 C19 H20 N4 O2 CN(C)CCNc1....
4 4U7F - K25 C9 H7 Br4 N3 CN(C)c1[nH....
5 3TEM ic50 = 14 nM 6A1 C19 H25 N4 O3 C[N+](C)(C....
6 1SG0 Kd = 35 nM STL C14 H12 O3 c1cc(ccc1C....
7 1XI2 ic50 < 1 uM CB1 C9 H8 N4 O5 c1c(c(cc(c....
8 3O73 Kd = 19 uM O73 C21 H24 N4 O5 Cc1c(c2c(n....
9 3UXH ic50 = 0.061 nM UXH C12 H10 Cl N5 O2 CN1c2c3c(c....
10 4ZVM Kd = 274 nM DM2 C27 H29 N O11 C[C@H]1[C@....
11 3GAM ic50 = 4.1 uM MXX C13 H15 N O3 CC1=CC(=O)....
12 1QR2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 3G5M ic50 = 54.1 uM XM5 C12 H11 N O4 CN1c2c(ccc....
14 3UXE ic50 = 0.0041 uM 465 C13 H10 Cl N5 O2 CN1c2c3c(c....
15 4ZVN Kd = 0.36 nM AO C17 H20 N3 CN(C)c1ccc....
16 4GQI ic50 = 20.7 uM M49 C14 H17 N3 O3 CC(=O)NCC[....
17 2QWX Kd = 1.4 uM ML1 C13 H16 N2 O2 CC(=O)NCCc....
18 2QX4 Kd = 1.4 uM ML1 C13 H16 N2 O2 CC(=O)NCCc....
19 4U7H Kd = 36.4 nM K25 C9 H7 Br4 N3 CN(C)c1[nH....
20 2QR2 - VK3 C11 H8 O2 CC1=CC(=O)....
21 2BZS - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
22 3OX1 ic50 = 7100 nM 695 C15 H18 N2 O3 S CC(=O)NCCc....
23 2QX8 Kd = 0.7 uM ML2 C13 H15 I N2 O2 CC(=O)NCCc....
24 3FW1 ic50 = 80 nM STI C29 H31 N7 O Cc1ccc(cc1....
25 4ZVK - ET C21 H20 N3 CC[n+]1c2c....
26 3OWH ic50 = 1900 nM 52X C14 H16 I N3 O3 CC(=O)NCCc....
27 4ZVL Kd = 29.4 nM AO C17 H20 N3 CN(C)c1ccc....
28 3OX3 ic50 = 11 nM 4X4 C21 H18 N4 O3 COc1ccc2c(....
29 2QX6 Kd = 1.4 uM ML1 C13 H16 N2 O2 CC(=O)NCCc....
30 4U7G Kd = 18.1 nM K17 C7 H2 Br4 N2 c1[nH]c2c(....
31 1ZX1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
32 4GR9 ic50 = 7 uM 372 C13 H13 N3 O2 CC(=O)Nc1c....
33 3OX2 ic50 = 704 nM 79X C17 H13 N O4 COc1cc-2c(....
34 3OVM ic50 = 37100 nM MZC C14 H17 N3 O3 CC(=O)NCCc....
35 1QBG - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
36 1KBO - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
37 3JSX ic50 = 7.7 nM CC2 C22 H18 O3 Cc1cc2c(cc....
38 1KBQ Ki = 0.45 uM 936 C18 H16 N2 O6 Cc1c(c2c(n....
39 1H66 - RH1 C12 H14 N2 O3 CC1=C(C(=O....
40 4CET Kd = 428 nM FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
41 1H69 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
42 1D4A - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
43 1GG5 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
44 5EA2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
45 5A4K Kd = 155 nM FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
46 1DXO - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
47 1QRD - DQN C10 H12 O2 CC1=C(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DQN; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 DQN 1 1
Ligand no: 2; 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 : 1QRD; Ligand: FAD; Similar sites found: 162
This union binding pocket(no: 1) in the query (biounit: 1qrd.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.01463 0.44563 None
2 2VKL MLT 0.0179 0.43235 None
3 1UO4 PIH 0.03045 0.41993 None
4 2BOI MFU 0.007591 0.41311 None
5 2DWU DGL 0.009094 0.40506 None
6 3FKQ ATP 0.003202 0.40148 0.732601
7 4COQ SAN 0.009436 0.4196 0.809717
8 1R6N 434 0.03981 0.40455 0.947867
9 4AF5 CIT 0.02045 0.40426 1.05263
10 3L6R MLI 0.005558 0.43637 1.0989
11 3MAG 3MA 0.0366 0.41561 1.4652
12 1QD0 RR6 0.001277 0.42945 1.5625
13 3I6B KDO 0.00917 0.40962 1.66667
14 4O8A 2OP 0.02421 0.41821 1.8315
15 5CSM TRP 0.00146 0.44348 1.95312
16 1AX2 NDG GAL 0.002351 0.43472 2.09205
17 1NML CIT 0.01333 0.4027 2.1978
18 1JAC AMG 0.007174 0.45358 2.25564
19 2JGS BTN 0.01222 0.40672 2.30769
20 4E1M TQ2 0.007809 0.40328 2.40964
21 2ZWS PLM 0.002083 0.49299 2.5641
22 3BRE C2E 0.003118 0.44146 2.5641
23 3NNF AKG 0.004588 0.43384 2.5641
24 2Q3M MLA 0.01273 0.43255 2.5641
25 4M5P MLA 0.01807 0.43211 2.5641
26 2Z9V PXM 0.006407 0.41624 2.5641
27 4M51 BEZ 0.02337 0.41263 2.5641
28 1FP2 HMO 0.002655 0.40841 2.5641
29 4B9E FAH 0.0272 0.40373 2.5641
30 4PPU TYR 0.004504 0.42274 2.8777
31 3L24 GOA 0.0003602 0.51147 2.9304
32 2P69 PLP 0.002682 0.43813 2.9304
33 1RYD GLC 0.007488 0.42417 2.9304
34 3NOJ PYR 0.01315 0.40533 2.94118
35 1G8S MET 0.0002539 0.49086 3.04348
36 1NU4 MLA 0.01704 0.43349 3.09278
37 1XX6 ADP 0.00786 0.40317 3.14136
38 1H8G CHT 0.008767 0.45811 3.15789
39 3CH5 GDP 0.004439 0.40855 3.24074
40 3F81 STT 0.01339 0.43142 3.27869
41 2NCD ADP 0.001773 0.446 3.2967
42 3P3N AKG 0.007171 0.42502 3.2967
43 3R6K FUC GAL GLA 0.01093 0.42251 3.2967
44 4W6Z ETF 0.02113 0.42126 3.2967
45 3QV9 QV7 0.00803 0.41723 3.2967
46 1KYQ NAD 0.001558 0.40852 3.2967
47 4KCT PYR 0.001415 0.43827 3.40681
48 2Y6P CTP 0.004358 0.41338 3.4188
49 1XE7 GUN 0.006821 0.4464 3.44828
50 3D2Y AH0 ALA FGA LYS 0.002742 0.40004 3.44828
51 1T5B FMN 0.00003055 0.4668 3.48259
52 2Z9C DTC 0.0000001191 0.50574 3.5
53 2Z9C FMN 0.00001408 0.48605 3.5
54 2WGC SIA GAL BGC 0.0004028 0.53279 3.50877
55 2CE7 ADP 0.001288 0.42446 3.663
56 3LTW HLZ 0.01753 0.40732 3.663
57 4JLV ADP 0.02222 0.43123 3.71747
58 1UW1 ADP 0.008836 0.4154 3.75
59 1PEA ACM 0.0008688 0.48271 4.0293
60 4PTZ FMN 0.00003207 0.45824 4.0293
61 1Z42 HBA 0.02754 0.42904 4.0293
62 1Z42 FMN 0.002401 0.41887 4.0293
63 2C5S AMP 0.009441 0.40439 4.0293
64 1W3R PYR 0.03835 0.40196 4.16667
65 3S9K CIT 0.004719 0.4698 4.23729
66 1V7R CIT 0.02723 0.42254 4.30108
67 2BO4 FLC 0.007241 0.43095 4.3956
68 2YIV YIV 0.02417 0.4119 4.3956
69 3U1T MLI 0.03128 0.40084 4.3956
70 1LYX PGA 0.005124 0.40195 4.43548
71 1DL7 NCH 0.03968 0.42117 4.46429
72 1S8F GDP 0.004044 0.40581 4.51977
73 1QO0 BMD 0.006772 0.42615 4.59184
74 1WGC SIA GAL BGC 0.000967 0.49992 4.67836
75 3ZPG 5GP 0.001172 0.48539 4.71204
76 2OHH FMN 0.001389 0.4192 4.7619
77 1A8S PPI 0.003552 0.41457 4.7619
78 1H16 PYR 0.02425 0.41184 4.7619
79 3UEC ALA ARG TPO LYS 0.006362 0.43361 4.79452
80 3E81 SLB 0.01709 0.40278 4.87805
81 4K30 NLG 0.01466 0.40095 5
82 4E28 9MZ 0.01049 0.41751 5.12821
83 2NVK NAP 0.006892 0.4149 5.12821
84 4E28 0MZ 0.01365 0.40708 5.12821
85 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.03691 0.40279 5.12821
86 1GPJ CIT 0.02279 0.40211 5.12821
87 1JH7 UVC 0.008744 0.4156 5.29101
88 2E1A MSE 0.01038 0.40269 5.33333
89 3TKA CTN 0.000485 0.54221 5.49451
90 2Q9U FMN 0.00052 0.45679 5.49451
91 3ZGE ASP 0.009252 0.43244 5.49451
92 4JWX 1N4 0.01053 0.40707 5.49451
93 1H8P PC 0.01717 0.42589 5.50459
94 2XDQ MGX 0.02539 0.41715 5.86081
95 1Z45 GAL 0.008546 0.41093 5.86081
96 1Z4V DAN 0.006457 0.40225 5.86081
97 2YDW WSH 0.009384 0.40009 5.88235
98 3RK0 AMP 0.002528 0.418 5.90717
99 2VQ5 HBA 0.01689 0.41356 5.97015
100 1Y1A GSH 0.007733 0.46931 6.01093
101 4NC7 I3C 0.0261 0.40458 6.06061
102 4LTN FMN 0.00002889 0.47472 6.09137
103 4LTN NAI 0.00005567 0.47472 6.09137
104 1I0Z OXM 0.04627 0.40364 6.22711
105 2GWD GLU 0.002076 0.43143 6.59341
106 1RZM E4P 0.02341 0.40683 6.59341
107 1A5Z OXM 0.04059 0.40073 6.59341
108 4B16 NAG 0.007655 0.45207 6.76692
109 1SC3 MLI 0.005151 0.44491 6.81818
110 1XX4 BAM 0.008855 0.44061 7.27969
111 2OYS FMN 0.001242 0.41592 7.43802
112 4RJK PYR 0.02271 0.41324 7.69231
113 4JCA CIT 0.01126 0.44312 7.78443
114 3PNA CMP 0.009125 0.405 7.79221
115 1SS4 CIT 0.00008356 0.62767 7.84314
116 1SS4 GSH 0.0001877 0.55334 7.84314
117 2V5E SCR 0.01534 0.43593 7.92079
118 3R51 MMA 0.008844 0.44064 8.125
119 1JN2 SFP 0.02278 0.451 8.43882
120 2JBH 5GP 0.005684 0.41346 8.44444
121 2OFE NAG 0.001501 0.45587 8.4507
122 2OFD NGA 0.002351 0.44703 8.4507
123 1BTN I3P 0.000123 0.57116 8.49057
124 1B74 DGN 0.001203 0.4758 8.66142
125 1PX8 XYP 0.002905 0.43661 8.79121
126 3GTD MLI 0.01151 0.41034 8.79121
127 1L5Y BEF 0.002456 0.44325 9.03226
128 1Y2W NAG 0.01216 0.41457 9.15493
129 3E5P PPI 0.01187 0.45172 9.15751
130 1DXY COI 0.03437 0.41035 9.15751
131 1T0I FMN 0.000976 0.40979 9.42408
132 4DN8 BMA 0.01908 0.40565 9.61539
133 2Y7P SAL 0.0137 0.40221 10.0917
134 1T0S BML 0.0166 0.41996 10.2564
135 1YOA FMN 0.01615 0.44323 10.6918
136 3VCA PRO 0.0138 0.40443 10.989
137 1Q3P GLU ALA GLN THR ARG LEU 0.003981 0.41982 11.9266
138 1JGS SAL 0.001194 0.50648 12.3188
139 3RF4 FUN 0.002772 0.43168 12.931
140 3QDY CBS 0.003605 0.44523 13.2867
141 3QDT A2G GAL 0.01053 0.42967 13.2867
142 3S2Y FMN 0.000007044 0.43682 13.5678
143 2OWZ CIT 0.002186 0.44846 15.0183
144 2Q8M AMP 0.002929 0.41553 15.0183
145 1ULE GLA GAL NAG 0.01243 0.42615 15.3333
146 1ZED PNP 0.01604 0.41463 15.3846
147 4F8L GAL 0.01878 0.43954 16.5517
148 2BZ1 TAU 0.01378 0.44709 16.8367
149 3BY8 MLT 0.01278 0.41929 16.9014
150 3SQG COM 0.005823 0.45841 17.2161
151 2YLD CMO 0.0167 0.40829 17.3228
152 2B3D FAD 0.00001723 0.50282 17.6471
153 2WCI GSH 0.001429 0.45011 17.7778
154 2JFV FLC 0.008426 0.42184 19.0476
155 4G28 0W8 0.007363 0.40883 21.5686
156 4N65 FMN 0.00005988 0.48821 21.6981
157 4N65 AQN 0.00004459 0.48798 21.6981
158 3L9W FMN 0.003606 0.4564 26.7399
159 1O9U ADZ 0.0009063 0.49107 27.7778
160 4R81 FMN 0.0000002358 0.54311 28.1553
161 3GFS FMN 0.0000231 0.54127 29.3103
162 3PMA SCR 0.01284 0.4034 34.4828
Pocket No.: 2; Query (leader) PDB : 1QRD; Ligand: DQN; Similar sites found: 37
This union binding pocket(no: 2) in the query (biounit: 1qrd.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3AHC TPP 0.02093 0.42303 2.1978
2 1B8U NAD 0.02315 0.40974 2.1978
3 4Q3R XA2 0.03355 0.40763 2.1978
4 1P9P SAH 0.03677 0.4014 2.29885
5 2V7T SAH 0.04943 0.43821 2.5641
6 1GEX PLP HSA 0.02938 0.41052 2.5641
7 3BL6 FMC 0.01689 0.41299 2.6087
8 1TDF FAD 0.01119 0.45295 2.9304
9 1OLS TDP 0.02483 0.43302 2.9304
10 2XVE FAD 0.03897 0.43292 2.9304
11 2YBQ UP2 0.03348 0.41907 2.9304
12 2HW1 ANP 0.02478 0.4083 2.9304
13 3HQJ COA 0.02248 0.40698 3.07692
14 3RGG AIR 0.01391 0.40662 3.14465
15 1B9I PXG 0.008885 0.4333 3.2967
16 1KOL NAD 0.0454 0.41217 3.2967
17 2Z9C FMN 0.03389 0.4072 3.5
18 2WGC SIA GAL BGC 0.004204 0.43805 3.50877
19 1CL2 PPG 0.006881 0.43362 3.663
20 1C0I FAD 0.04778 0.41868 3.663
21 1C0I BE2 0.04778 0.41868 3.663
22 2H6B 3C4 0.02435 0.41459 4
23 4GCS 1RG 0.03405 0.40524 4.0293
24 1VPM COA 0.03254 0.40551 4.14201
25 3S9K CIT 0.02159 0.413 4.23729
26 3DAG FEG 0.01935 0.41957 4.3956
27 3GB5 FMN 0.01233 0.42137 4.6332
28 1WGC SIA GAL BGC 0.006091 0.42031 4.67836
29 3PY5 AMP 0.02407 0.40184 4.7619
30 4CKL SM8 0.02592 0.40733 5.12821
31 1SS4 GSH 0.0261 0.40346 7.84314
32 1BTN I3P 0.0006079 0.48937 8.49057
33 3E5P PPI 0.001686 0.46299 9.15751
34 1YOA FMN 0.01046 0.41801 10.6918
35 1UWZ THU 0.02529 0.40082 13.2353
36 2F5T MAL 0.02117 0.40824 13.7339
37 1YWQ FMN 0.01316 0.41436 15
Pocket No.: 3; Query (leader) PDB : 1QRD; Ligand: FAD; Similar sites found: 8
This union binding pocket(no: 3) in the query (biounit: 1qrd.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5NUL FMN 0.001863 0.43094 2.17391
2 3R4S SLB 0.02829 0.40181 2.9304
3 3OQJ 3CX 0.007689 0.4134 3.11284
4 2BW7 ECS 0.03888 0.40308 5.47945
5 1E5D FMN 0.001266 0.44832 5.49451
6 2WMC MGP 0.02913 0.41808 6.74157
7 3SVL FMN 0.001979 0.42977 17.0984
8 1Y7P RIP 0.005553 0.40718 18.8341
Pocket No.: 4; Query (leader) PDB : 1QRD; Ligand: DQN; Similar sites found: 2
This union binding pocket(no: 4) in the query (biounit: 1qrd.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4A2B AGS 0.0001651 0.52212 3.663
2 4J56 FAD 0.01325 0.41636 15.7895
Pocket No.: 5; Query (leader) PDB : 1QRD; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1qrd.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1QRD; Ligand: DQN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1qrd.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1QRD; Ligand: DQN; Similar sites found: 15
This union binding pocket(no: 7) in the query (biounit: 1qrd.bio3) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2F01 BTQ 0.04969 0.42882 None
2 1SBZ FMN 0.04313 0.40927 1.52284
3 4OYA 1VE 0.03424 0.45064 2.1978
4 3WE0 FAD 0.04009 0.42118 2.1978
5 3LZW FAD 0.04809 0.41271 2.5641
6 1MVN PCO 0.03417 0.43324 2.87081
7 2DTX BMA 0.003504 0.47276 3.40909
8 1XVV CCQ 0.0491 0.41313 3.663
9 1WTC ACP 0.01522 0.40929 3.663
10 4P3H 25G 0.0106 0.4525 4.14508
11 3UER BTU 0.01185 0.41221 5.86081
12 3UER TUR 0.01185 0.41221 5.86081
13 2YC5 6BC 0.0482 0.40984 8.33333
14 2NS1 ADP 0.03358 0.41647 12.069
15 3C1O NAP 0.0198 0.41766 13.5531
Pocket No.: 8; Query (leader) PDB : 1QRD; Ligand: FAD; Similar sites found: 37
This union binding pocket(no: 8) in the query (biounit: 1qrd.bio3) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ZJ6 G3D 0.002295 0.41962 None
2 1ZS6 ADP 0.004052 0.4195 None
3 2F01 BTN 0.0115 0.40282 None
4 1ECM TSA 0.0107 0.40215 None
5 4JP3 CIT 0.006381 0.40245 1.25523
6 1NF8 BOG 0.007208 0.43105 1.44928
7 1RYI GOA 0.004335 0.47954 1.4652
8 1KTC NGA 0.01251 0.40389 2.1978
9 2Q8H TF4 0.01236 0.43319 2.5641
10 3PLN U5P 0.005496 0.41907 2.5641
11 2EB5 OXL 0.02165 0.40313 2.62172
12 2Q37 3AL 0.001296 0.45196 2.76243
13 3SJ0 DXC 0.003948 0.44337 2.8169
14 4B7E OGA 0.005305 0.42513 3.2967
15 3DX5 DHB 0.003496 0.4172 3.2967
16 4NAO AKG 0.02709 0.40381 3.2967
17 2DVZ GLU 0.008599 0.40161 3.2967
18 4KCT FDP 0.004231 0.40935 3.40681
19 4EXO PYR 0.01383 0.42386 3.42466
20 3BHO B4P 0.02591 0.42371 4.32692
21 1Y42 TYR 0.0106 0.40694 4.3956
22 2YIV NBN 0.02712 0.40379 4.3956
23 1WRA PC 0.02268 0.40748 5.12821
24 5EQU AKG 0.03238 0.40561 5.49451
25 2ZSC BTN 0.003645 0.4075 5.67376
26 2VQ5 LDP 0.01735 0.42565 5.97015
27 2IZ1 ATR 0.006477 0.42704 6.22711
28 2ZJF BSU 0.002225 0.42501 6.59341
29 1U3I GSH 0.01947 0.40027 7.109
30 2FGQ MLT 0.003935 0.43687 7.69231
31 2VDJ HSE 0.006971 0.43847 8.05861
32 3I0O SMI 0.005367 0.42491 8.05861
33 1GJW GLC 0.02319 0.40703 8.42491
34 3KPE TM3 0.02009 0.40461 10.2564
35 2WMO GTP 0.001862 0.41845 11.7216
36 4P9Z NMI PTR 02K ASN NH2 0.0129 0.40332 12.8205
37 3QDY A2G GAL 0.00552 0.44344 13.2867
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