Receptor
PDB id Resolution Class Description Source Keywords
1E63 2.3 Å EC: 1.18.1.2 FERREDOXIN:NADP+ REDUCTASE MUTANT WITH LYS 75 REPLACED BY SER (K75S) ANABAENA SP. OXIDOREDUCTASE FLAVOPROTEIN NADP FAD FNR NADP REDUCTASE
Ref.: STRUCTURAL ANALYSIS OF INTERACTIONS FOR COMPLEX FORMATION BETWEEN FERREDOXIN-NADP+ REDUCTASE AND ITS PROTEIN PARTNERS. PROTEINS V. 59 592 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:304;
Valid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
SO4 A:307;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BSA 1.92 Å EC: 1.18.1.2 FERREDOXIN-NADP REDUCTASE (MUTATION: Y 303 S) COMPLEXED WITH NADP ANABAENA SP. OXIDOREDUCTASE FAD FLAVOPROTEIN FNR MEMBRANE NADP NADP REDUCTASE PHYCOBILISOME THYLAKOID
Ref.: C-TERMINAL TYROSINE OF FERREDOXIN-NADP(+) REDUCTASE IN HYDRIDE TRANSFER PROCESSES WITH NAD(P)(+)/H. BIOCHEMISTRY V. 44 13477 2005
Members (30)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 1E63 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 1H42 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 1E62 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 1H85 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 2X3U - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 1B2R - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 1GO2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 1QUE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 4C43 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 1E64 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
11 3ZC3 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
12 1GR1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 1QGY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 1QGZ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
15 3ZBT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
16 2BSA Kd < 0.01 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
17 1W34 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
18 2VZL Kd = 550 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 1QH0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
20 1BQE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
21 1OGJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
22 1BJK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
23 1OGI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
24 1W35 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
25 4BPR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
26 1GJR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
27 2BMW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
28 2VYQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
29 3ZBU - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
30 1QUF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1QFZ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 1QFY Kd < 0.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 1QGA Kd = 5.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 1QG0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 1E63 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 1H42 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 1E62 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 1H85 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 2X3U - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 1B2R - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
11 1GO2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
12 1QUE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 4C43 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 1E64 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
15 3ZC3 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
16 1GR1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
17 1QGY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
18 1QGZ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
19 3ZBT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
20 2BSA Kd < 0.01 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
21 1W34 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
22 2VZL Kd = 550 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 1QH0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
24 1BQE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
25 1OGJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
26 1BJK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
27 1OGI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
28 1W35 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
29 4BPR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
30 1GJR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
31 2BMW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
32 2VYQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
33 3ZBU - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
34 1QUF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
35 1GAW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
36 1FNB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
37 1BX1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
38 1FRN - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
39 1FNC - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
40 1FRQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
41 1BX0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
42 1FND - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
43 1SM4 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
44 3VO2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
45 3VO1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (60)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1JB9 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 5VW9 - NCA C6 H6 N2 O c1cc(cnc1)....
3 5VW8 Kd < 0.02 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 5H59 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 5VW3 Kd < 0.02 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 5VW6 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 3LO8 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 5VWA - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 3LVB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 5VW4 - NCA C6 H6 N2 O c1cc(cnc1)....
11 5VW7 - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
12 5VWB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 5VW2 Kd < 0.02 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 5VW5 - NCA C6 H6 N2 O c1cc(cnc1)....
15 2RC5 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
16 1QFZ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
17 1QFY Kd < 0.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
18 1QGA Kd = 5.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
19 1QG0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
20 1E63 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
21 1H42 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
22 1E62 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
23 1H85 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
24 2X3U - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
25 1B2R - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
26 1GO2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
27 1QUE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
28 4C43 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
29 1E64 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
30 3ZC3 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
31 1GR1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
32 1QGY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
33 1QGZ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
34 3ZBT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
35 2BSA Kd < 0.01 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
36 1W34 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
37 2VZL Kd = 550 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 1QH0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
39 1BQE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
40 1OGJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
41 1BJK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
42 1OGI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
43 1W35 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
44 4BPR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
45 1GJR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
46 2BMW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
47 2VYQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
48 3ZBU - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
49 1QUF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50 1GAW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
51 1FNB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
52 1BX1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
53 1FRN - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
54 1FNC - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
55 1FRQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
56 1BX0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
57 1FND - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
58 1SM4 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
59 3VO2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
60 3VO1 - 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 : 2BSA; Ligand: FAD; Similar sites found: 81
This union binding pocket(no: 1) in the query (biounit: 2bsa.bio1) has 50 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ALG DAO 0.04466 0.41754 1.32013
2 2G50 ALA 0.04735 0.40953 2.31023
3 2HJR APR 0.021 0.40123 2.31023
4 3FIU POP 0.01901 0.44203 2.40964
5 4XLI 1N1 0.02654 0.41294 2.61194
6 4F07 FAD 0.02369 0.40659 2.63158
7 2X1L ADN 0.01275 0.44447 2.64026
8 4C2C ALA ALA ALA 0.03632 0.42015 2.64026
9 1EP2 FAD 0.001667 0.45042 2.68199
10 3BP1 GUN 0.03301 0.43929 3.10345
11 3T50 FMN 0.02851 0.40549 3.125
12 2WBV SIA 0.043 0.4124 3.1746
13 3UNG ADP 0.02415 0.43392 3.30033
14 3QSB 743 0.03698 0.41536 3.30033
15 3QH2 3NM 0.04238 0.41954 3.61991
16 3PGU OLA 0.01817 0.43199 3.63036
17 4IXH IMP 0.0196 0.40258 3.63036
18 1T9M FMN 0.02692 0.40959 3.73832
19 3BY9 SIN 0.02715 0.43745 3.84615
20 4OXX FMN 0.02416 0.40898 4.32099
21 1VHZ APR 0.04304 0.42008 4.54545
22 1GPM AMP 0.02522 0.41935 4.62046
23 4H2D FMN 0.01793 0.41525 4.84848
24 3JQ3 ADP 0.04964 0.40841 4.9505
25 1SU2 ATP 0.03425 0.4044 5.03145
26 2BVE PH5 0.002954 0.49353 5.04202
27 1EJE FMN 0.01199 0.42368 5.20833
28 3LRE ADP 0.04738 0.40738 5.28053
29 1KC7 PPR 0.03709 0.41983 5.61056
30 5LKC FUC GLA A2G 0.02523 0.42881 5.94059
31 5UDS ATP 0.007712 0.4519 6.29371
32 4YRY NAD 0.0000001206 0.51405 6.60066
33 4DS0 A2G GAL NAG FUC 0.0227 0.42504 6.60066
34 4KBA 1QM 0.02386 0.41854 6.60066
35 2E1A MSE 0.03831 0.41816 6.66667
36 1RZU ADP 0.01017 0.44139 6.93069
37 1G8S MET 0.0464 0.41339 6.93069
38 1Q19 APC 0.01701 0.41061 7.59076
39 1E5Q SHR 0.0337 0.41079 7.92079
40 3OZV FAD 0.00001657 0.44011 8.91089
41 3OZV ECN 0.0002581 0.41363 8.91089
42 1KQR MNA 0.01095 0.43439 9.49721
43 3UEC ALA ARG TPO LYS 0.04197 0.42437 9.58904
44 3A3B FMN 0.008182 0.45501 10
45 3A3B RBF 0.01168 0.44655 10
46 2EB5 OXL 0.04535 0.41563 10.1124
47 4CP8 MLI 0.0429 0.4197 10.2669
48 2QGI UDP 0.04668 0.41856 10.4839
49 3GFS FMN 0.003486 0.45714 10.9195
50 4WQM FAD 0.00000005223 0.43331 12.8713
51 2XG5 EC2 0.007391 0.46631 13.2948
52 2XG5 EC5 0.007391 0.46631 13.2948
53 4G1V FAD 0.0000009726 0.42519 19.1419
54 4AG5 ADP 0.03158 0.42769 21.4521
55 1QX4 FAD 0.0000001129 0.47896 22.6277
56 1A8P FAD 0.000006912 0.573 22.8682
57 1N13 AG2 0.03736 0.42345 23.0089
58 2QQC AG2 0.04454 0.41831 23.2143
59 3W2E FAD 0.000000003465 0.54153 23.2472
60 3W2E NAD 0.000000003465 0.54153 23.2472
61 2CND FAD 0.000008799 0.56808 23.3333
62 2QTZ NAP 0.000000003246 0.52516 23.4323
63 2QTZ FAD 0.00000006692 0.40616 23.4323
64 4U9U FAD 0.00000001721 0.68744 24.5552
65 3IWD M2T 0.02783 0.42973 25.8065
66 2EIX FAD 0.00009961 0.48914 26.3374
67 4DQL NAP 0.0000000001208 0.67021 29.703
68 4DQL FAD 0.0000001351 0.6263 29.703
69 1TLL FAD 0.00000001103 0.42839 32.6733
70 1TLL NAP 0.0000006426 0.42556 32.6733
71 1F20 FAD 0.00000003337 0.4212 32.6733
72 1KRH FAD 0.0000000863 0.41388 33.3333
73 3CRZ NAP 0.0000000008591 0.65036 34.3234
74 3CRZ FAD 0.0000007342 0.61222 34.3234
75 5FA6 NAP 0.000000007055 0.58547 34.9835
76 5FA6 FAD 0.000000006546 0.58547 34.9835
77 5FA6 FMN 0.000000006546 0.58547 34.9835
78 3QFS NAP 0.000000001757 0.62844 35.3135
79 3QFS FAD 0.000000001757 0.54477 35.3135
80 1DDG FAD 0.0000002131 0.63701 35.6436
81 5GXU FAD 0.0000001986 0.43939 38.9439
Pocket No.: 2; Query (leader) PDB : 2BSA; Ligand: NAP; Similar sites found: 91
This union binding pocket(no: 2) in the query (biounit: 2bsa.bio1) has 51 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ALG DAO 0.04591 0.41754 1.32013
2 3MQ2 SAH 0.04251 0.40043 2.29358
3 2G50 ALA 0.04876 0.40953 2.31023
4 2HJR APR 0.02293 0.40025 2.31023
5 3FIU POP 0.01956 0.44203 2.40964
6 4XLI 1N1 0.02744 0.41294 2.61194
7 4F07 FAD 0.02454 0.40659 2.63158
8 4C2C ALA ALA ALA 0.03727 0.42015 2.64026
9 2YK7 CSF 0.03044 0.40212 2.64026
10 1EP2 FAD 0.001743 0.45042 2.68199
11 3RKR NAP 0.04519 0.41134 3.05344
12 3BP1 GUN 0.03386 0.43929 3.10345
13 3T50 FMN 0.033 0.40311 3.125
14 2WBV SIA 0.04407 0.4124 3.1746
15 3UNG ADP 0.02484 0.43392 3.30033
16 3QSB 743 0.03811 0.41536 3.30033
17 1LSS NAD 0.01145 0.41937 3.57143
18 3QH2 3NM 0.0436 0.41954 3.61991
19 4BWL MN9 0.008516 0.4612 3.63036
20 2WPB ZZI 0.009445 0.45708 3.63036
21 3PGU OLA 0.01876 0.43199 3.63036
22 4IXH IMP 0.02036 0.40258 3.63036
23 1T9M FMN 0.02784 0.40959 3.73832
24 3BY9 SIN 0.02792 0.43745 3.84615
25 4OXX FMN 0.02221 0.41149 4.32099
26 5B5S BOG 0.02505 0.43241 4.34783
27 1VHZ APR 0.04421 0.42008 4.54545
28 1GPM AMP 0.0259 0.41935 4.62046
29 4EIL CB3 0.04294 0.41254 4.62046
30 4H2D FMN 0.01669 0.41751 4.84848
31 3SIX GDP 0.01746 0.42985 4.9505
32 1B1C FMN 0.03498 0.40188 4.97238
33 1SU2 ATP 0.0354 0.4044 5.03145
34 2BVE PH5 0.003047 0.49353 5.04202
35 5IL1 SAM 0.004714 0.444 5.18868
36 1EJE FMN 0.01244 0.42368 5.20833
37 3LRE ADP 0.04862 0.40738 5.28053
38 2Z4T C5P 0.0238 0.42643 5.61056
39 1KC7 PPR 0.03809 0.41983 5.61056
40 5LKC FUC GLA A2G 0.04866 0.41203 5.94059
41 5UDS ATP 0.007979 0.4519 6.29371
42 4YRY NAD 0.00000004788 0.52181 6.60066
43 4DS0 A2G GAL NAG FUC 0.0233 0.42504 6.60066
44 4KBA 1QM 0.02465 0.41854 6.60066
45 2E1A MSE 0.03945 0.41816 6.66667
46 1RZU ADP 0.01052 0.44139 6.93069
47 4XWM CBK 0.03987 0.42206 6.93069
48 1Q19 APC 0.01765 0.41061 7.59076
49 1E5Q SHR 0.03479 0.41079 7.92079
50 3OZV FAD 0.00001786 0.43562 8.91089
51 3OZV ECN 0.0002764 0.40952 8.91089
52 1KQR MNA 0.01125 0.43439 9.49721
53 3UEC ALA ARG TPO LYS 0.04308 0.42437 9.58904
54 3A3B FMN 0.008457 0.45501 10
55 3A3B RBF 0.01206 0.44655 10
56 2EB5 OXL 0.04658 0.41563 10.1124
57 4CP8 MLI 0.0441 0.4197 10.2669
58 2QGI UDP 0.04798 0.41856 10.4839
59 3GFS FMN 0.003621 0.45714 10.9195
60 4WQM FAD 0.00000005608 0.42883 12.8713
61 2XG5 EC2 0.00761 0.46631 13.2948
62 2XG5 EC5 0.00761 0.46631 13.2948
63 4G1V FAD 0.000001041 0.42099 19.1419
64 4AG5 ADP 0.03249 0.42769 21.4521
65 1QX4 FAD 0.000000117 0.47472 22.6277
66 1A8P FAD 0.000007307 0.573 22.8682
67 1N13 AG2 0.03842 0.42345 23.0089
68 2QQC AG2 0.04582 0.41831 23.2143
69 3W2E FAD 0.000000003773 0.53567 23.2472
70 3W2E NAD 0.000000003773 0.53567 23.2472
71 2CND FAD 0.000009296 0.56808 23.3333
72 2QTZ NAP 0.000000001553 0.52974 23.4323
73 2QTZ FAD 0.00000007136 0.40224 23.4323
74 4U9U FAD 0.00000001848 0.68744 24.5552
75 3IWD M2T 0.04123 0.41441 25.8065
76 2EIX FAD 0.0001053 0.48914 26.3374
77 4DQL NAP 0.00000000004788 0.68638 29.703
78 4DQL FAD 0.0000001448 0.6263 29.703
79 1TLL NAP 0.0000002193 0.43365 32.6733
80 1TLL FAD 0.00000001185 0.42395 32.6733
81 1F20 FAD 0.00000003574 0.41697 32.6733
82 1KRH FAD 0.0000000922 0.40979 33.3333
83 3CRZ NAP 0.0000000006446 0.65656 34.3234
84 3CRZ FAD 0.0000007812 0.61222 34.3234
85 5FA6 FMN 0.00000000447 0.58716 34.9835
86 5FA6 FAD 0.00000000447 0.58716 34.9835
87 5FA6 NAP 0.000000004827 0.58716 34.9835
88 3QFS NAP 0.000000001058 0.63793 35.3135
89 3QFS FAD 0.000000001058 0.5468 35.3135
90 1DDG FAD 0.0000002275 0.63701 35.6436
91 5GXU FAD 0.0000002135 0.43483 38.9439
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