Receptor
PDB id Resolution Class Description Source Keywords
2XNJ 1.9 Å EC: 1.18.1.2 CRYSTAL STRUCTURE OF AN ENGINEERED FERREDOXIN(FLAVODOXIN) NA REDUCTASE (FPR) FROM ESCHERICHIA COLI ESCHERICHIA COLI OXIDOREDUCTASE
Ref.: SWAPPING FAD BINDING MOTIFS BETWEEN PLASTIDIC AND B FERREDOXIN-NADP(H) REDUCTASES. BIOCHEMISTRY V. 50 2111 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:1257;
B:1257;
Valid;
Valid;
none;
none;
Kd = 1.1 nM
785.55 C27 H33 N9 O15 P2 Cc1cc...
GOL A:1260;
B:1260;
B:1261;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NA B:1268;
Invalid;
none;
submit data
22.99 Na [Na+]
NAP A:1258;
B:1258;
Valid;
Valid;
none;
none;
Kd = 7.5 uM
743.405 C21 H28 N7 O17 P3 c1cc(...
TRS A:1259;
B:1259;
Invalid;
Invalid;
none;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
ZN A:1261;
A:1262;
A:1263;
A:1264;
A:1265;
A:1266;
B:1262;
B:1263;
B:1264;
B:1265;
B:1266;
B:1267;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XNJ 1.9 Å EC: 1.18.1.2 CRYSTAL STRUCTURE OF AN ENGINEERED FERREDOXIN(FLAVODOXIN) NA REDUCTASE (FPR) FROM ESCHERICHIA COLI ESCHERICHIA COLI OXIDOREDUCTASE
Ref.: SWAPPING FAD BINDING MOTIFS BETWEEN PLASTIDIC AND B FERREDOXIN-NADP(H) REDUCTASES. BIOCHEMISTRY V. 50 2111 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 1FDR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 2XNJ Kd = 1.1 nM 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 15 families.
1 1FDR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 2XNJ Kd = 1.1 nM FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 2QDX - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3CRZ Kd = 24 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 4K1X - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 2VNK Kd = 222 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 2BGJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 2VNJ Kd = 222 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 2VNH Kd = 222 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 2VNI Kd = 204 uM A2P C10 H15 N5 O10 P2 c1nc(c2c(n....
9 2BGI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 1FDR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
11 2XNJ Kd = 1.1 nM FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
12 4B4D - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 1A8P - 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
Ligand no: 2; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XNJ; Ligand: NAP; Similar sites found: 15
This union binding pocket(no: 1) in the query (biounit: 2xnj.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3QFS FAD 0.00002094 0.5368 4.51128
2 3QFS NAP 0.00002094 0.5368 4.51128
3 4LO2 GAL BGC 0.02079 0.41164 6.76692
4 4NMC 2OP 0.01369 0.40632 10.9023
5 4NMC FAD 0.01442 0.40632 10.9023
6 4DQL NAP 0.0003081 0.48358 16.1654
7 2QTZ NAP 0.00006849 0.5092 23.3083
8 5FA6 FAD 0.00002225 0.56669 26.3158
9 5FA6 NAP 0.00002308 0.56669 26.3158
10 5FA6 FMN 0.00002225 0.56669 26.3158
11 1TLL NAP 0.000002917 0.55391 32.3308
12 1F20 NAP 0.000007739 0.49774 32.3308
13 1QX4 FAD 0.0003128 0.47809 34.9624
14 3W2E FAD 0.00005339 0.52089 36.0902
15 3W2E NAD 0.00005339 0.52089 36.0902
Pocket No.: 2; Query (leader) PDB : 2XNJ; Ligand: FAD; Similar sites found: 131
This union binding pocket(no: 2) in the query (biounit: 2xnj.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NU4 MLA 0.001367 0.47757 None
2 1UO4 PIH 0.02286 0.40511 None
3 1P72 ADP 0.008577 0.42063 1.50376
4 1A8R GTP 0.0008554 0.44753 1.80995
5 2ZWS PLM 0.00006942 0.54543 1.8797
6 1MVN FMN 0.03636 0.40002 1.91388
7 3QDY CBS 0.0003767 0.46389 2.0979
8 1RYD NDP 0.02604 0.40568 2.25564
9 4RNX FMN 0.009617 0.40461 2.25564
10 1UBY DMA 0.007487 0.40446 2.25564
11 2DTX BMA 0.01986 0.41292 2.27273
12 3TKA CTN 0.007836 0.45065 2.63158
13 1O9U ADZ 0.003125 0.43927 2.63158
14 4OE4 NAD 0.01172 0.41406 2.63158
15 4M5P MLA 0.01562 0.41344 2.63158
16 4B9E FAH 0.009148 0.4033 2.63158
17 1TDF FAD 0.04724 0.40138 2.63158
18 1XHL NDP 0.009775 0.41934 2.6936
19 1XHL TNE 0.0004994 0.41764 2.6936
20 3F81 STT 0.001456 0.45507 2.73224
21 1RYI GOA 0.01845 0.42434 3.00752
22 1LC8 33P 0.01343 0.40692 3.00752
23 4USQ FAD 0.02345 0.4047 3.00752
24 1QF5 GDP 0.04295 0.40408 3.00752
25 1QF5 RPL 0.04295 0.40408 3.00752
26 3IL6 B83 0.0104 0.40229 3.00752
27 2BZ1 TAU 0.02555 0.41065 3.06122
28 1WUR 8DG 0.0006372 0.45686 3.18182
29 1R37 NAD 0.0111 0.4192 3.38346
30 2AMV BIN 0.02901 0.41357 3.38346
31 1G6O ADP 0.01086 0.40951 3.38346
32 4NE2 SH2 0.0259 0.40379 3.38346
33 4NE2 ADP 0.02324 0.40379 3.38346
34 3R6K FUC GAL GLA 0.002029 0.43193 3.7594
35 3CKJ CIT 0.004565 0.42716 3.7594
36 1PL6 572 0.01055 0.41904 3.7594
37 1PL6 NAD 0.005245 0.41827 3.7594
38 4PLG NAI 0.01467 0.41694 3.7594
39 4PLG OXM 0.01467 0.41694 3.7594
40 1Q0H FOM 0.03071 0.40937 3.7594
41 2IXB A2G 0.02862 0.40477 3.7594
42 2IXB NAD 0.01965 0.40477 3.7594
43 1R18 SAH 0.01056 0.40542 3.96476
44 2H6B 3C4 0.04333 0.40808 4
45 4RJK PYR 0.005658 0.44519 4.13534
46 3OND NAD 0.01238 0.4293 4.13534
47 3OND ADN 0.01238 0.4293 4.13534
48 1T0S BML 0.003855 0.42696 4.13534
49 3BRE C2E 0.005268 0.40745 4.13534
50 1OFH ADP 0.01358 0.40533 4.13534
51 1B8U NAD 0.01203 0.40137 4.13534
52 1B8U OAA 0.02551 0.40089 4.13534
53 1YOA FMN 0.034 0.40405 4.40252
54 1U7Z PMT 0.01958 0.40711 4.42478
55 1Y7P RIP 0.00481 0.40911 4.4843
56 3QFS NAP 0.0002624 0.46305 4.51128
57 3QFS FAD 0.0002624 0.46305 4.51128
58 4GYW UDP 0.01641 0.4094 4.51128
59 1M5B BN1 0.02573 0.42019 4.56274
60 1V2G OCA 0.004811 0.4057 4.73684
61 4JCA CIT 0.007363 0.4298 4.79042
62 5GXU FAD 0.00009267 0.46647 4.88722
63 2YBQ UP2 0.01056 0.42234 4.88722
64 3D3W NAP 0.02043 0.40402 4.91803
65 1PR9 NAP 0.02636 0.40135 4.91803
66 2WGC SIA GAL BGC 0.005436 0.44611 5.26316
67 1WGC SIA GAL BGC 0.02243 0.40553 5.26316
68 1YAG ATP 0.004018 0.42485 5.6
69 4KCF AKM 0.01003 0.40797 5.6391
70 3Q9T FAY 0.0302 0.4037 5.6391
71 1TB4 PEJ 0.02092 0.40238 5.6391
72 2C31 TZD 0.01701 0.43663 6.01504
73 2C31 ADP 0.01657 0.43663 6.01504
74 1Y2W NAG 0.0005825 0.44765 6.33803
75 4PO2 ASN ARG LEU LEU LEU THR GLY 0.01213 0.40597 6.38298
76 4K5S PM0 0.03003 0.41213 6.39098
77 1KOL NAD 0.02152 0.40843 6.39098
78 1FIQ FAD 0.02489 0.40353 6.39098
79 1BTN I3P 0.0007464 0.49795 6.60377
80 3BHO B4P 0.00684 0.4314 6.73077
81 1ZK7 FAD 0.02556 0.41308 6.76692
82 1OTH PAO 0.01573 0.41021 6.76692
83 1TU3 GNP 0.008873 0.41327 7.01754
84 1R27 MGD 0.01795 0.41199 7.14286
85 1PFK ADP 0.007735 0.40183 7.14286
86 1C3V NDP 0.01024 0.41724 7.34694
87 3R51 MMA 0.007444 0.4213 7.5
88 1P9B GDP 0.00552 0.40991 7.5188
89 1VDC FAD 0.04935 0.40123 7.5188
90 3TCT 3MI 0.01461 0.42902 7.87402
91 1ULE GLA GAL NAG 0.005256 0.42082 8
92 4WBD CIT 0.01463 0.40049 8.27068
93 1SS4 GSH 0.000143 0.5339 8.49673
94 5O0X FAD 0.0002813 0.50053 9.02256
95 2HW1 ANP 0.01176 0.4018 9.3985
96 1NN5 2DT 0.005415 0.42811 9.76744
97 1NN5 ANP 0.005415 0.42811 9.76744
98 2DKH 3HB 0.01886 0.41395 9.77444
99 2DKH FAD 0.01507 0.41217 9.77444
100 4HA6 FAD 0.002836 0.45521 10.5263
101 3FJO FAD 0.00002838 0.44022 10.989
102 3UH0 TSB 0.01227 0.40424 11.2782
103 4YHB FAD 0.000979 0.4206 11.6541
104 1H9G COA MYR 0.005493 0.42369 11.9342
105 2GJ3 FAD 0.008996 0.40837 12.5
106 4BMO FMN 0.0102 0.41068 12.605
107 2YC5 6BC 0.01099 0.42049 15.3509
108 4DQL FAD 0.00003938 0.46988 16.1654
109 4DQL NAP 0.0001864 0.46913 16.1654
110 3DDC GNP 0.01457 0.404 16.5644
111 4G1V FAD 0.000001825 0.53334 18.0451
112 2PIA FMN 0.0000166 0.46264 18.797
113 1EP2 ORO 0.02314 0.40495 20.6897
114 2QTZ FAD 0.000002743 0.47557 23.3083
115 2QTZ NAP 0.0001226 0.47255 23.3083
116 4U9U FAD 0.0000002754 0.52788 26.3158
117 5FA6 NAP 0.0005387 0.47748 26.3158
118 5FA6 FMN 0.0005202 0.47748 26.3158
119 5FA6 FAD 0.0005202 0.47748 26.3158
120 1DDG FAD 0.0002403 0.42494 29.3233
121 1TLL FAD 0.000004775 0.47926 32.3308
122 1F20 FAD 0.00001257 0.46681 32.3308
123 2CND FAD 0.0000367 0.44737 32.3308
124 4WQM FAD 0.0000005042 0.53304 34.5865
125 1QX4 FAD 0.002059 0.42177 34.9624
126 3W2E FAD 0.00008753 0.48512 36.0902
127 3W2E NAD 0.00008753 0.48512 36.0902
128 1KRH FAD 0.0000005434 0.51113 36.8421
129 3OZV FAD 0.000004461 0.54251 39.8496
130 3OZV ECN 0.00004442 0.50557 39.8496
131 2EIX FAD 0.001241 0.42228 39.9177
Pocket No.: 3; Query (leader) PDB : 2XNJ; Ligand: NAP; Similar sites found: 31
This union binding pocket(no: 3) in the query (biounit: 2xnj.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.005187 0.46374 None
2 1NU4 MLA 0.03592 0.40977 None
3 2ZWS PLM 0.009888 0.44834 1.8797
4 1O9U ADZ 0.01508 0.42212 2.63158
5 4W6Z ETF 0.04049 0.40044 2.63158
6 3F81 STT 0.01277 0.42574 2.73224
7 2BZ1 TAU 0.0125 0.44275 3.06122
8 1V7R CIT 0.02864 0.41499 3.76344
9 4RJK PYR 0.02682 0.40327 4.13534
10 1YOA FMN 0.006285 0.45916 4.40252
11 4JCA CIT 0.01496 0.42986 4.79042
12 1HSJ GLC 0.01224 0.44324 5.26316
13 4RPM HXC 0.02714 0.42413 5.26316
14 1BTN I3P 0.005883 0.47094 6.60377
15 3R51 MMA 0.006097 0.44184 7.5
16 4YRY NAD 0.0000005698 0.49214 8.27068
17 4QVB F42 0.01487 0.40667 8.84354
18 5O0X FAD 0.00003236 0.56904 9.02256
19 3S9K CIT 0.0471 0.41053 9.32203
20 2BO4 FLC 0.01564 0.40851 9.3985
21 4DQL FAD 0.0001488 0.4732 16.1654
22 4G1V FAD 0.000006847 0.43061 18.0451
23 2PIA FMN 0.00000486 0.40887 18.797
24 2QTZ FAD 0.0000003746 0.42243 23.3083
25 4U9U FAD 0.0000001192 0.44405 26.3158
26 1TLL FAD 0.0000009425 0.42411 32.3308
27 1F20 FAD 0.000003367 0.41137 32.3308
28 4WQM FAD 0.0000000677 0.46609 34.5865
29 1KRH FAD 0.00000009313 0.44707 36.8421
30 3OZV FAD 0.00005239 0.45267 39.8496
31 3OZV ECN 0.000728 0.41806 39.8496
Pocket No.: 4; Query (leader) PDB : 2XNJ; Ligand: FAD; Similar sites found: 83
This union binding pocket(no: 4) in the query (biounit: 2xnj.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1QJC PNS 0.03012 0.4189 None
2 2ALG HP6 0.007995 0.41399 None
3 2ALG DAO 0.007995 0.41399 None
4 2BNE U5P 0.02025 0.41157 1.24481
5 3NKS FAD 0.01592 0.42006 1.50376
6 3NKS ACJ 0.006686 0.40969 1.50376
7 1RRC ADP 0.006731 0.41895 1.8797
8 3E4O SIN 0.0007894 0.4316 2.25564
9 3WE0 FAD 0.02394 0.41722 2.25564
10 3GE7 AFQ 0.0153 0.41662 2.25564
11 4TMK T5A 0.007003 0.43097 2.34742
12 1HDR NAD 0.003636 0.46042 2.45902
13 1H16 DTL 0.00608 0.4225 2.63158
14 2PT9 2MH 0.02632 0.40685 2.63158
15 2YPO PHE 0.005018 0.435 3.00752
16 1R0X ATP 0.02751 0.4049 3.00752
17 1OAA OAA 0.02534 0.41604 3.0888
18 4NVP 7CH 0.03682 0.40109 3.34928
19 1UKW FAD 0.02046 0.41498 3.38346
20 1LVL FAD 0.03483 0.40945 3.38346
21 1TUF AZ1 0.01358 0.40869 3.38346
22 1T57 FMN 0.01004 0.41137 3.39806
23 1JUV NDP 0.01331 0.41193 3.62694
24 2XVE FAD 0.02578 0.42711 3.7594
25 1BZL FAD 0.01988 0.42106 3.7594
26 3MCT SAH 0.0158 0.40111 3.7594
27 1V7R CIT 0.006474 0.42961 3.76344
28 3BW2 FMN 0.02949 0.40013 3.79404
29 1GAD NAD 0.009343 0.4188 4.13534
30 4IOK XPO 0.008611 0.41589 4.13534
31 4IOK ADP 0.01471 0.40998 4.13534
32 1DXY COI 0.01406 0.40526 4.13534
33 1LCP PLU 0.02202 0.40078 4.13534
34 1VPM COA 0.01287 0.40821 4.14201
35 3PFG TLO 0.02958 0.41027 4.18251
36 3PFG SAM 0.02958 0.41027 4.18251
37 3OZG SSI 0.01008 0.40213 4.4
38 1E7S NAP 0.001949 0.45622 4.51128
39 2GDZ NAD 0.01243 0.41719 4.51128
40 3WBF API 0.02353 0.40803 4.51128
41 1GSA GSH 0.009868 0.43364 4.88722
42 1OLS TDP 0.03704 0.40897 4.88722
43 2ZTS ADP 0.01194 0.4029 5.17928
44 4RPM HXC 0.01514 0.41985 5.26316
45 3RFV 15L 0.01062 0.41632 5.26316
46 1MDZ DCS 0.01659 0.41502 5.26316
47 1MDZ PLP 0.01575 0.41491 5.26316
48 3KYF 5GP 5GP 0.005935 0.40492 5.62771
49 1FS5 TLA 0.006078 0.42784 5.6391
50 1I7L ATP 0.0136 0.40716 5.6391
51 1I2B USQ 0.01682 0.43227 6.01504
52 1I2B UPG 0.01682 0.43227 6.01504
53 1I2B NAD 0.01682 0.43227 6.01504
54 1EDO NAP 0.04639 0.4178 6.14754
55 1V2X SAM 0.008696 0.41065 6.18557
56 4KQI RBZ 0.004839 0.43701 6.39098
57 4KQI NIO 0.004839 0.43701 6.39098
58 3CQD ATP 0.01184 0.42604 6.39098
59 2BLE 5GP 0.02899 0.42334 6.39098
60 1WVG APR 0.01512 0.40807 6.39098
61 2J7T 274 0.02497 0.40222 6.39098
62 3PNL ADP 0.003862 0.42948 6.63507
63 5T0A A3P 0.002195 0.42407 6.76692
64 2Q3M MLA 0.0002992 0.40421 6.76692
65 4IAE 1DX 0.04167 0.40991 7.40741
66 4DQ2 BTX 0.009176 0.42186 7.5188
67 3UWB BB2 0.00654 0.40051 7.79221
68 2WIC GNP 0.01605 0.40473 8.27068
69 1Z45 NAD 0.004639 0.43654 8.64662
70 4QVB F42 0.005902 0.40544 8.84354
71 2OZE AGS 0.007939 0.41051 9.02256
72 3S9K CIT 0.02687 0.4088 9.32203
73 2BO4 FLC 0.005944 0.40851 9.3985
74 1KBJ FMN 0.0203 0.40236 9.3985
75 2V6O FAD 0.04412 0.42098 9.77444
76 4ONT SIA GAL BGC 0.03324 0.40161 10.1504
77 2R40 EPH 0.02466 0.40427 10.5263
78 1L2T ATP 0.01392 0.40672 11.0638
79 1J5P NAD 0.02489 0.40103 11.8577
80 1TOI HCI 0.0141 0.41346 13.5338
81 3TA2 AKG 0.02191 0.40479 14.4068
82 1EP2 FAD 0.0005104 0.43473 20.6897
83 1EP2 FMN 0.008654 0.42167 20.6897
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