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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 (16)
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....
16 5YLY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 128
No: Ligand ECFP6 Tc MDL keys Tc
1 FAD 1 1
2 FAS 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 FAE 0.751773 0.987654
7 SFD 0.651007 0.860215
8 FDA 0.641892 0.906977
9 FNK 0.602564 0.876405
10 62F 0.572327 0.939024
11 F2N 0.566265 0.886364
12 FMN 0.543307 0.876543
13 FA9 0.526316 0.939759
14 6YU 0.516304 0.860215
15 P6G FDA 0.511628 0.908046
16 FAD NBT 0.508876 0.83871
17 A2D 0.504065 0.875
18 P5F 0.491329 0.941176
19 FAD CNX 0.488506 0.8125
20 AR6 0.488372 0.851852
21 APR 0.488372 0.851852
22 AGS 0.484615 0.811765
23 SAP 0.484615 0.811765
24 M33 0.484375 0.864198
25 BA3 0.484127 0.875
26 HEJ 0.48062 0.851852
27 ATP 0.48062 0.851852
28 ADP 0.480315 0.851852
29 B4P 0.480315 0.875
30 AP5 0.480315 0.875
31 ANP 0.477273 0.831325
32 AQP 0.476923 0.851852
33 5FA 0.476923 0.851852
34 48N 0.469388 0.902439
35 OAD 0.467626 0.876543
36 9X8 0.467626 0.833333
37 FAD NBA 0.467033 0.793814
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AT4 0.465116 0.821429
41 AD9 0.462121 0.831325
42 3OD 0.460993 0.876543
43 RBF 0.460938 0.790123
44 FB0 0.460606 0.835165
45 139 0.460526 0.858824
46 AP0 0.46 0.835294
47 A22 0.459854 0.864198
48 ACP 0.458015 0.853659
49 8QN 0.456522 0.864198
50 PRX 0.454545 0.831325
51 A3R 0.453237 0.86747
52 A1R 0.453237 0.86747
53 G3A 0.452055 0.902439
54 T5A 0.45098 0.872093
55 G5P 0.44898 0.902439
56 ATF 0.448529 0.821429
57 50T 0.44697 0.819277
58 6YZ 0.445255 0.853659
59 ACQ 0.444444 0.853659
60 CNV FAD 0.443182 0.917647
61 ADQ 0.442857 0.853659
62 PAJ 0.442857 0.847059
63 5AL 0.441176 0.864198
64 ADX 0.439394 0.775281
65 CA0 0.439394 0.853659
66 A4P 0.437909 0.831461
67 25L 0.4375 0.864198
68 P33 FDA 0.436464 0.817204
69 5SV 0.435714 0.793103
70 OMR 0.434211 0.818182
71 TXE 0.434211 0.890244
72 ABM 0.434109 0.829268
73 A 0.433071 0.82716
74 AMP 0.433071 0.82716
75 4AD 0.432624 0.855422
76 ADJ 0.432258 0.818182
77 B5M 0.431507 0.878049
78 B5Y 0.431507 0.878049
79 BIS 0.430556 0.802326
80 SRA 0.429688 0.788235
81 AFH 0.42953 0.825581
82 NXX 0.427632 0.865854
83 DND 0.427632 0.865854
84 UP5 0.427632 0.878049
85 6V0 0.427632 0.857143
86 TXD 0.427632 0.890244
87 DQV 0.426667 0.8875
88 SRP 0.42446 0.843373
89 PR8 0.423611 0.837209
90 T99 0.423358 0.821429
91 TAT 0.423358 0.821429
92 AMO 0.422535 0.865854
93 TXA 0.42069 0.865854
94 FYA 0.42069 0.864198
95 PTJ 0.42069 0.835294
96 CNA 0.420382 0.865854
97 00A 0.41958 0.823529
98 AHX 0.41958 0.835294
99 MAP 0.41844 0.811765
100 NAI 0.418301 0.845238
101 AU1 0.41791 0.831325
102 A12 0.416667 0.843373
103 AP2 0.416667 0.843373
104 25A 0.415493 0.851852
105 9ZA 0.415493 0.845238
106 9ZD 0.415493 0.845238
107 COD 0.415094 0.842697
108 4TC 0.412903 0.879518
109 APC 0.411765 0.843373
110 ME8 0.410959 0.806818
111 1ZZ 0.410959 0.806818
112 NB8 0.410959 0.835294
113 4UW 0.409091 0.825581
114 NAX 0.409091 0.837209
115 F2R 0.408805 0.850575
116 RBY 0.408759 0.843373
117 ADV 0.408759 0.843373
118 P1H 0.405882 0.818182
119 OOB 0.405594 0.864198
120 LAD 0.40411 0.825581
121 A A 0.40411 0.829268
122 UPA 0.403846 0.86747
123 4UU 0.401316 0.833333
124 GA7 0.401316 0.865854
125 A3D 0.401235 0.876543
126 80F 0.401235 0.808989
127 XAH 0.4 0.806818
128 DLL 0.4 0.864198
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2EIX; Ligand: FAD; Similar sites found with APoc: 168
This union binding pocket(no: 1) in the query (biounit: 2eix.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 2WOR 2AN None
2 1UO5 PIH None
3 1N13 AG2 None
4 2WBV SIA None
5 4G86 BNT 1.23457
6 4RZB NFQ 1.23457
7 3F8C HT1 1.5873
8 1FX8 BOG 1.64609
9 4DE3 DN8 1.64609
10 3R7F CP 1.64609
11 1I0B PEL 2.05761
12 5NM7 GLY 2.05761
13 6HQD SRT 2.05761
14 3B9Q MLI 2.05761
15 4NRT 2NG 2.05761
16 6BR8 6OU 2.46914
17 6CGN DA 2.46914
18 2JHP GUN 2.46914
19 6BR8 PGV 2.46914
20 1GEG GLC 2.46914
21 2BO4 FLC 2.46914
22 3NOJ PYR 2.52101
23 5XK9 GST 2.58621
24 3SJK LYS PRO VAL LEU ARG THR ALA 2.63158
25 5XQL C2E 2.74914
26 1TLL FAD 2.88066
27 5GXU FAD 2.88066
28 1F20 FAD 2.88066
29 3FIU POP 2.88066
30 5CX6 CDP 2.88066
31 4U63 MHF 2.88066
32 6GEH FAD 2.88066
33 3X01 AMP 2.88066
34 4M3P HCS 2.88066
35 2CIX CEJ 2.88066
36 1TOX NAD 2.88066
37 2Q8M AMP 2.88066
38 5EY0 GTP 2.91971
39 2ASF CIT 2.91971
40 1VHZ APR 3.0303
41 4RYV ZEA 3.22581
42 2QTZ FAD 3.29218
43 6H8S FSZ 3.29218
44 2OG2 MLI 3.29218
45 2QTZ NAP 3.29218
46 2F5X ASP 3.29218
47 1D8C GLV 3.29218
48 4G6I RS3 3.33333
49 5E5U MLI 3.51759
50 3SQP 3J8 3.7037
51 5A4W QCT 3.77358
52 1XPJ TLA 3.96825
53 1JOC ITP 4
54 3UEC ALA ARG TPO LYS 4.10959
55 3W54 RNB 4.11523
56 3PUN FUC GAL NDG FUC 4.11523
57 1PVC ILE SER GLU VAL 4.41176
58 4IA6 EIC 4.52675
59 5WJ6 B4A 4.52675
60 3VOZ 04A 4.52675
61 4KSY 1SY 4.54545
62 5XXS COA 4.54545
63 2BHW NEX 4.74138
64 5M36 9SZ 4.80349
65 5LX9 OLB 4.92958
66 1NE7 16G 4.93827
67 6BYF CIT 5.29412
68 4O8A 2OP 5.34979
69 4CUB GAL NAG 5.46448
70 3O01 DXC 5.76132
71 3BY9 SIN 5.76132
72 5OSW DIU 5.76132
73 4F07 FAD 5.78947
74 3I7V B4P 5.97015
75 4RJD TFP 6.06061
76 3B9Z CO2 6.17284
77 6CB2 OLC 6.17284
78 1NU4 MLA 6.18557
79 1XK5 TPG 6.37255
80 3JUC PCA 6.53595
81 1NXJ TLA 6.55738
82 3FJO FAD 6.58436
83 4KVL PLM 6.58436
84 3HUN ZZ7 6.62252
85 2WCU FUC 6.71141
86 1KZL CRM 6.73077
87 5UGW GSH 6.85714
88 4HMX FMN 6.97674
89 2GBB CIT 7.05128
90 1JLX GAL A2G MBN 7.40741
91 1T9M FMN 7.47664
92 2AWN ADP 7.81893
93 1M2Z BOG 8.23045
94 4LWU 20U 8.23529
95 5N26 CPT 8.24176
96 1S8G DAO 8.26446
97 1DDG FAD 9.0535
98 1ZED PNP 9.46502
99 3A3B FMN 9.47368
100 3A3B RBF 9.47368
101 4YHB FAD 9.87654
102 2J5V PCA 9.87654
103 3KO0 TFP 9.90099
104 4I67 G G G RPC 10.3448
105 3KP6 SAL 10.596
106 3AQT RCO 10.6122
107 3TDC 0EU 10.6996
108 5W97 CHD 11.1111
109 6HKE LMR 11.1111
110 6HKE MLT 11.1111
111 5Z84 CHD 11.1111
112 5ZCO CHD 11.1111
113 5FA6 FAD 11.9342
114 5FA6 NAP 11.9342
115 5FA6 FMN 11.9342
116 3QFS FAD 11.9342
117 3QFS NAP 11.9342
118 4K10 NI9 11.9342
119 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 12.9252
120 4OGQ 2WM 13.125
121 4F2Q QUS 13.5802
122 2VWA PTY 13.8614
123 3R5W F42 15.1786
124 2Y69 CHD 15.7143
125 5JCA FAD 16.5493
126 4K6B GLU 16.7702
127 1FND A2P 19.1083
128 1FND FAD 19.1083
129 3JQQ A2P 20.1646
130 3JQQ FAD 20.1646
131 1QFY FAD 20.7792
132 1QFY NAP 20.7792
133 5C1M OLC 20.8
134 3MHP FAD 21.6216
135 1SM4 FAD 21.9595
136 4DQL FAD 22.2222
137 5V4R MGT 22.2222
138 4DQL NAP 22.2222
139 2VNI FAD 23.0453
140 2VNI A2P 23.0453
141 2PIA FMN 23.8683
142 1A8P FAD 24.6914
143 2RC5 FAD 25.5144
144 3VO1 FAD 25.9259
145 1GAW FAD 26.3374
146 1EWY FAD 26.3374
147 2BSA NAP 26.3374
148 2BSA FAD 26.3374
149 5VW2 NAP 27.1605
150 5VW2 FDA 27.1605
151 5H5J FAD 27.572
152 4G1V FAD 30.0412
153 5C9J DAO 30.303
154 4U9U FAD 32.0988
155 1EP2 FAD 32.5103
156 5O0X FAD 32.9218
157 4YRY FAD 34.9794
158 4YRY NAD 34.9794
159 4WQM FAD 36.214
160 3CRZ FAD 36.6255
161 3CRZ NAP 36.6255
162 5OGX FAD 37.4486
163 4B4D FAD 39.0947
164 2XNJ FAD 39.9177
165 2XNJ NAP 39.9177
166 3OZV ECN 40.7407
167 3OZV FAD 40.7407
168 1KRH FAD 43.6214
Pocket No.: 2; Query (leader) PDB : 2EIX; Ligand: FAD; Similar sites found with APoc: 24
This union binding pocket(no: 2) in the query (biounit: 2eix.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 2QQC AG2 None
2 1KJ1 MAN None
3 4NTO 1PW 1.44928
4 2P3V SRT 2.88066
5 4FAI PBD 3.29218
6 2MAS PIR 3.29218
7 3N7S 3N7 3.47826
8 4FXQ G9L 3.7037
9 4OB6 S2T 4.93827
10 1DTL BEP 4.96894
11 3B6C SDN 5.12821
12 2NZ5 226 6.58436
13 3MA0 XYP 6.58436
14 2GWH PCI 6.99588
15 1TV5 N8E 6.99588
16 3HRD NIO 6.99588
17 1YUM NCN 7.02479
18 5W7B MYR 8.51064
19 4C2W ANP 8.64198
20 1RL4 BL5 11.7021
21 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 12.1339
22 4OGQ 7PH 13.125
23 4B5W PYR 13.5802
24 2VOH CIT 23.0769
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