Receptor
PDB id Resolution Class Description Source Keywords
1D4A 1.7 Å EC: 1.6.5.2 CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE AT RESOLUTION HOMO SAPIENS FLAVOPROTEIN ROSSMANN FOLD OXIDOREDUCTASE
Ref.: STRUCTURES OF RECOMBINANT HUMAN AND MOUSE NAD(P)H:Q OXIDOREDUCTASES: SPECIES COMPARISON AND STRUCTURAL WITH SUBSTRATE BINDING AND RELEASE. PROC.NATL.ACAD.SCI.USA V. 97 3177 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:601;
B:602;
C:603;
D:604;
Valid;
Valid;
Valid;
Valid;
none;
none;
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
3JSX 2.45 Å EC: 1.6.5.2 X-RAY CRYSTAL STRUCTURE OF NAD(P)H: QUINONE OXIDOREDUCTASE-1 (NQO1) BOUND TO THE COUMARIN-BASED INHIBITOR AS1 HOMO SAPIENS COUMARIN-BASED INHIBITORS NQ01 CYTOPLASM FAD FLAVOPROTEIN NAD NADP OXIDOREDUCTASE POLYMORPHISM
Ref.: SYNTHESIS AND BIOLOGICAL EVALUATION OF COUMARIN-BASED INHIBITORS OF NAD(P)H: QUINONE OXIDOREDUCTASE-1 (NQO1). J.MED.CHEM. V. 52 7142 2009
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 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....
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: 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 : 3JSX; Ligand: FAD; Similar sites found: 45
This union binding pocket(no: 1) in the query (biounit: 3jsx.bio4) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1YFS ALA 0.04022 0.40203 2.1978
2 4LTN FMN 0.00002554 0.50659 2.53807
3 4LTN NAI 0.00005034 0.48422 2.53807
4 4Q3F TLA 0.005382 0.44598 2.5641
5 5NUL FMN 0.003227 0.424 2.89855
6 3QPB URA 0.02352 0.40854 2.9304
7 3ZH4 FLC 0.02189 0.40656 2.9304
8 3OQJ 3CX 0.01246 0.4124 3.11284
9 4PTZ FMN 0.000007665 0.54114 3.663
10 1R6N 434 0.03897 0.4036 3.79147
11 4FXQ G9L 0.02606 0.40707 4.0293
12 2RBK VN4 0.01429 0.41629 4.5977
13 4MOB ADP 0.02603 0.4058 4.7619
14 4I9A NCN 0.009003 0.40406 4.7619
15 2YN4 39J 0.03017 0.40182 5.08475
16 2Q9U FMN 0.0003803 0.46083 5.12821
17 3TW1 AHN 0.01578 0.41624 5.90717
18 2FKA BEF 0.00003958 0.57604 6.20155
19 1L5Y BEF 0.001298 0.4758 6.45161
20 3R4S SLB 0.01853 0.42493 6.59341
21 3SVL FMN 0.0001 0.49136 6.73575
22 2OYS FMN 0.0001099 0.47478 7.02479
23 1SQS TLA 0.008535 0.42413 7.02479
24 2OHH FMN 0.0006816 0.4377 7.32601
25 3QDW A2G 0.02191 0.42749 8.39161
26 3QDV A2G 0.02467 0.42528 8.39161
27 3QDT A2G GAL 0.02821 0.41583 8.39161
28 3QDY A2G GAL 0.03011 0.41385 8.39161
29 3ZF8 GDP 0.01377 0.41026 8.85246
30 1T0I FMN 0.0001107 0.45206 9.42408
31 4YJK URA 0.01219 0.43065 9.52381
32 1FUT 2GP 0.02887 0.40359 10.3774
33 2WMC MGP 0.03398 0.41913 10.6742
34 2B3D FAD 0.0000008823 0.53663 12.2549
35 2UWN SCR 0.007008 0.42155 12.2995
36 3S2Y FMN 0.001859 0.4389 13.5678
37 1Y7P RIP 0.02651 0.4132 15.0183
38 4N65 AQN 0.000004706 0.49958 17.9245
39 4N65 FMN 0.000008136 0.47157 17.9245
40 1T5B FMN 0.00002267 0.51432 18.408
41 1E5D FMN 0.001395 0.42672 18.6813
42 3L9W FMN 0.00000003059 0.65714 21.978
43 3GFS FMN 0.000002374 0.58625 23.5632
44 2Z9C FMN 0.00001759 0.51351 33.5
45 4R81 FMN 0.0000000104 0.65163 36.4078
Pocket No.: 2; Query (leader) PDB : 3JSX; 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: 3jsx.bio4) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3JSX; Ligand: CC2; 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: 3jsx.bio4) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3JSX; Ligand: CC2; Similar sites found: 2
This union binding pocket(no: 4) in the query (biounit: 3jsx.bio4) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4MO4 ACP 0.03953 0.40853 3.2967
2 4L9P FII 0.009307 0.42768 6.74374
Pocket No.: 5; Query (leader) PDB : 3JSX; Ligand: CC2; 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: 3jsx.bio1) has 138 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3JSX; Ligand: FAD; Similar sites found: 1
This union binding pocket(no: 6) in the query (biounit: 3jsx.bio1) has 144 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1L7N ALF 0.03058 0.43876 7.109
Pocket No.: 7; Query (leader) PDB : 3JSX; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3jsx.bio1) has 138 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3JSX; Ligand: CC2; Similar sites found: 23
This union binding pocket(no: 8) in the query (biounit: 3jsx.bio1) has 144 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5NUL FMN 0.01452 0.4357 2.89855
2 3TW1 AHN 0.02694 0.44351 5.90717
3 2FKA BEF 0.000429 0.56362 6.20155
4 1L5Y BEF 0.007596 0.47363 6.45161
5 3R4S SLB 0.04302 0.42271 6.59341
6 3SVL FMN 0.0006684 0.50375 6.73575
7 2OYS FMN 0.00152 0.47395 7.02479
8 1SQS TLA 0.04923 0.41599 7.02479
9 1L7N ALF 0.03058 0.43876 7.109
10 2OHH FMN 0.004013 0.45044 7.32601
11 1T0I FMN 0.0009427 0.49189 9.42408
12 4YJK URA 0.04355 0.43431 9.52381
13 2B3D FAD 0.00001806 0.55174 12.2549
14 2UWN SCR 0.02187 0.43174 12.2995
15 3S2Y FMN 0.0007185 0.49777 13.5678
16 1Y7P RIP 0.0128 0.45888 15.0183
17 4N65 AQN 0.00000681 0.56623 17.9245
18 4N65 FMN 0.00001729 0.53527 17.9245
19 1T5B FMN 0.0003098 0.51599 18.408
20 1E5D FMN 0.005727 0.44017 18.6813
21 3L9W FMN 0.000000536 0.6687 21.978
22 3GFS FMN 0.00005219 0.57818 23.5632
23 4R81 FMN 0.000000169 0.6712 36.4078
Pocket No.: 9; Query (leader) PDB : 3JSX; Ligand: FAD; Similar sites found: 12
This union binding pocket(no: 9) in the query (biounit: 3jsx.bio3) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BJE URA 0.02464 0.41137 2.5641
2 3BJE R1P 0.02547 0.40242 2.5641
3 2F2G HMH 0.01515 0.41504 2.71493
4 4IF4 BEF 0.01555 0.40977 2.88462
5 4N7C AEF 0.01799 0.41209 2.9304
6 5OFW 9TW 0.03241 0.40456 3.58744
7 3LJU IP9 0.02273 0.40812 3.663
8 2JBM SRT 0.02519 0.4117 4.01338
9 5BXV MGP 0.04582 0.40837 4.16667
10 1EJH M7G 0.03224 0.41299 4.21053
11 5AHO TLA 0.0221 0.40249 4.3956
12 1GG6 APL 0.01633 0.40849 11.4504
Pocket No.: 10; Query (leader) PDB : 3JSX; Ligand: CC2; Similar sites found: 20
This union binding pocket(no: 10) in the query (biounit: 3jsx.bio3) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BJE URA 0.03497 0.41372 2.5641
2 3BJE R1P 0.03288 0.40788 2.5641
3 2F2G HMH 0.024 0.41504 2.71493
4 4IF4 BEF 0.02426 0.40977 2.88462
5 3I5C C2E 0.0208 0.42352 2.91262
6 3QPB URA 0.03477 0.41524 2.9304
7 3OQJ 3CX 0.02091 0.41432 3.11284
8 3LJU IP9 0.035 0.40812 3.663
9 1R6N 434 0.044 0.41015 3.79147
10 2JBM SRT 0.0381 0.4117 4.01338
11 2VHL GLP 0.02414 0.4111 4.0293
12 4FXQ G9L 0.0391 0.41012 4.0293
13 1EJH M7G 0.04834 0.41299 4.21053
14 5AHO TLA 0.03405 0.40249 4.3956
15 2RBK VN4 0.01846 0.42431 4.5977
16 1L7N AF3 0.04146 0.41597 7.109
17 1L7P SEP 0.04107 0.40274 7.109
18 1MFA GLA MMA ABE 0.04497 0.40391 8.33333
19 1GG6 APL 0.02544 0.40849 11.4504
20 4GK9 MAN BMA MAN MAN MAN 0.03046 0.40777 11.7216
Pocket No.: 11; Query (leader) PDB : 3JSX; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 3jsx.bio3) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3JSX; Ligand: CC2; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 3jsx.bio3) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 3JSX; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 3jsx.bio2) has 144 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 3JSX; Ligand: CC2; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 3jsx.bio2) has 144 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 3JSX; Ligand: CC2; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 3jsx.bio2) has 138 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 3JSX; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 3jsx.bio2) has 138 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback