Receptor
PDB id Resolution Class Description Source Keywords
2EIX 1.56 Å EC: 1.6.2.2 THE STRUCTURE OF PHYSARUM POLYCEPHALUM CYTOCHROME B5 REDUCTA PHYSARUM POLYCEPHALUM FLAVOPROTEIN FAD-BINDING DOMAIN NADH-BINDING OXIDOREDUCTA
Ref.: STRUCTURE OF PHYSARUM POLYCEPHALUM CYTOCHROME B5 RE AT 1.56 A RESOLUTION. ACTA CRYSTALLOGR.,SECT.F V. 63 274 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:1301;
B:1302;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
GOL A:1402;
B:1401;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
IOD A:1501;
A:1502;
A:1503;
B:1504;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
126.904 I [I-]
NA A:1602;
B:1601;
Invalid;
Invalid;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2EIX 1.56 Å EC: 1.6.2.2 THE STRUCTURE OF PHYSARUM POLYCEPHALUM CYTOCHROME B5 REDUCTA PHYSARUM POLYCEPHALUM FLAVOPROTEIN FAD-BINDING DOMAIN NADH-BINDING OXIDOREDUCTA
Ref.: STRUCTURE OF PHYSARUM POLYCEPHALUM CYTOCHROME B5 RE AT 1.56 A RESOLUTION. ACTA CRYSTALLOGR.,SECT.F V. 63 274 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2EIX - 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 2 families.
1 2EIX - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2CND - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3W5H - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 5GV8 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 3W2F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 3W2I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 5GV7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 1UMK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 3W2H - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 1NDH - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 3W2G - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
11 3W2E - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
12 2EIX - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 1QX4 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 1IB0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 1I7P - 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 : 2EIX; Ligand: FAD; Similar sites found: 86
This union binding pocket(no: 1) in the query (biounit: 2eix.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.03976 0.40864 None
2 1N13 AG2 0.03825 0.40484 None
3 1I0B PEL 0.02106 0.42374 2.05761
4 3B9Q MLI 0.03655 0.41345 2.05761
5 2JHP GUN 0.01166 0.44455 2.46914
6 1GEG GLC 0.0384 0.40939 2.46914
7 3NOJ PYR 0.03519 0.41154 2.52101
8 3SJK LYS PRO VAL LEU ARG THR ALA 0.0284 0.41445 2.63158
9 5GXU FAD 0.00003714 0.47801 2.88066
10 1F20 FAD 0.00000446 0.47339 2.88066
11 1TLL FAD 0.000005927 0.47164 2.88066
12 3FIU POP 0.009427 0.43905 2.88066
13 1VHZ APR 0.01502 0.4285 3.0303
14 2QTZ FAD 0.00000168 0.4727 3.29218
15 2QTZ NAP 0.0001067 0.47128 3.29218
16 2OG2 MLI 0.02229 0.42815 3.29218
17 2F5X ASP 0.02858 0.40934 3.29218
18 1D8C GLV 0.03705 0.40653 3.29218
19 1XPJ TLA 0.04473 0.40164 3.96825
20 3UEC ALA ARG TPO LYS 0.02741 0.41783 4.10959
21 3W54 RNB 0.01498 0.40812 4.11523
22 3VOZ 04A 0.04034 0.40076 4.52675
23 3BY9 SIN 0.0226 0.41939 5.76132
24 3I7V B4P 0.02707 0.42144 5.97015
25 3B9Z CO2 0.005387 0.47342 6.17284
26 1XK5 TPG 0.02255 0.41613 6.37255
27 3JUC PCA 0.03701 0.40297 6.53595
28 3FJO FAD 0.000004639 0.46129 6.58436
29 3HUN ZZ7 0.04223 0.40315 6.62252
30 1JLX GAL A2G MBN 0.03639 0.40289 7.40741
31 2AWN ADP 0.02858 0.41884 7.81893
32 4LWU 20U 0.01641 0.40621 8.23529
33 1DDG FAD 0.00008476 0.48918 9.0535
34 3A3B FMN 0.01779 0.41597 9.47368
35 3A3B RBF 0.02012 0.4132 9.47368
36 4YHB FAD 0.0004245 0.43037 9.87654
37 3KO0 TFP 0.0228 0.42059 9.90099
38 4I67 G G G RPC 0.02744 0.4024 10.3448
39 3AQT RCO 0.01563 0.42991 10.6122
40 3TDC 0EU 0.000008586 0.67047 10.6996
41 5FA6 NAP 0.0006822 0.46977 11.9342
42 5FA6 FMN 0.0006587 0.46977 11.9342
43 5FA6 FAD 0.0006587 0.46977 11.9342
44 3QFS FAD 0.0001683 0.46737 11.9342
45 3QFS NAP 0.0001683 0.40386 11.9342
46 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.04534 0.4033 12.9252
47 2VWA PTY 0.01575 0.43326 13.8614
48 3R5W F42 0.01096 0.40433 15.1786
49 4K6B GLU 0.03357 0.40561 16.7702
50 1FND A2P 0.00001326 0.50573 19.1083
51 1FND FAD 0.00001326 0.50573 19.1083
52 3JQQ FAD 0.0001532 0.47027 20.1646
53 3JQQ A2P 0.0002823 0.45312 20.1646
54 1QFY FAD 0.00005826 0.48317 20.7792
55 1QFY NAP 0.00005826 0.48317 20.7792
56 3MHP FAD 0.000002587 0.47595 21.6216
57 1SM4 FAD 0.0000007095 0.6068 21.9595
58 4DQL FAD 0.00004641 0.46078 22.2222
59 4DQL NAP 0.0002563 0.46002 22.2222
60 5V4R MGT 0.02484 0.42291 22.2222
61 2VNI FAD 0.000228 0.40733 23.0453
62 2VNI A2P 0.000228 0.40733 23.0453
63 2PIA FMN 0.0002175 0.41911 23.8683
64 1A8P FAD 0.00001518 0.46118 24.6914
65 2RC5 FAD 0.000004138 0.55151 25.5144
66 3VO1 FAD 0.000001503 0.59157 25.9259
67 1EWY FAD 0.00000376 0.58021 26.3374
68 2BSA NAP 0.0001053 0.48914 26.3374
69 2BSA FAD 0.00009961 0.48914 26.3374
70 1GAW FAD 0.0000004024 0.4793 26.3374
71 5VW2 NAP 0.000131 0.47546 27.1605
72 5VW2 FDA 0.000131 0.47546 27.1605
73 5H5J FAD 0.000002587 0.47792 27.572
74 4G1V FAD 0.00001871 0.48949 30.0412
75 4U9U FAD 0.000004961 0.5422 32.0988
76 1EP2 FAD 0.002325 0.42063 32.5103
77 5O0X FAD 0.0002615 0.40141 32.9218
78 4YRY NAD 0.0009845 0.4449 34.9794
79 4WQM FAD 0.000002469 0.50229 36.214
80 3CRZ FAD 0.00001001 0.52909 36.6255
81 3CRZ NAP 0.0001988 0.41216 36.6255
82 4B4D FAD 0.0000124 0.52509 39.0947
83 2XNJ FAD 0.001241 0.42228 39.9177
84 3OZV FAD 0.00005112 0.49451 40.7407
85 3OZV ECN 0.0001268 0.48273 40.7407
86 1KRH FAD 0.000005958 0.47231 43.6214
Pocket No.: 2; Query (leader) PDB : 2EIX; 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: 2eix.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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