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Receptor
PDB id Resolution Class Description Source Keywords
2I0K 1.6 Å EC: 1.1.3.6 CHOLESTEROL OXIDASE FROM BREVIBACTERIUM STEROLICUM- HIS121AL BREVIBACTERIUM STEROLICUM OXIDOREDUCTASE MIX ALPHA BETA COVALENT FAD FLAVOENZYME
Ref.: STRUCTURAL AND KINETIC ANALYSES OF THE H121A MUTANT CHOLESTEROL OXIDASE. BIOCHEM.J. V. 400 13 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CAC A:703;
A:705;
Invalid;
Invalid;
none;
none;
submit data
136.989 C2 H6 As O2 C[As]...
FAD A:700;
Valid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
GOL A:706;
A:707;
A:708;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MN A:701;
A:702;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2I0K 1.6 Å EC: 1.1.3.6 CHOLESTEROL OXIDASE FROM BREVIBACTERIUM STEROLICUM- HIS121AL BREVIBACTERIUM STEROLICUM OXIDOREDUCTASE MIX ALPHA BETA COVALENT FAD FLAVOENZYME
Ref.: STRUCTURAL AND KINETIC ANALYSES OF THE H121A MUTANT CHOLESTEROL OXIDASE. BIOCHEM.J. V. 400 13 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2I0K - 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 2I0K - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% 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 2I0K - 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 : 2I0K; Ligand: FAD; Similar sites found with APoc: 135
This union binding pocket(no: 1) in the query (biounit: 2i0k.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 2FN1 SAL 1.373
2 2OG2 MLI 1.39276
3 4YSW NAI 1.60428
4 4YSW FAD 1.60428
5 3B9Q MLI 1.65563
6 5FOM A2H 1.71821
7 1V97 FAD 1.78253
8 1O5O U5P 1.80995
9 4RLQ 3SK 2.11946
10 2Q0L NAP 2.2508
11 3FXU TSU 2.29508
12 4IA6 EIC 2.31729
13 2MBR FAD 2.35294
14 2MBR EPU 2.35294
15 5FS0 5JC 2.36967
16 5OD2 5ID 2.40175
17 1F0X FAD 2.49554
18 5GVR LMR 2.5641
19 2ZX2 RAM 2.5641
20 2PS1 ORO 2.65487
21 4IDT T28 2.80899
22 2HHP FLC 2.83019
23 1FX8 BOG 2.84698
24 1IH7 GMP 2.85205
25 4B2D SER 2.91971
26 5AE2 FYC 3.0303
27 5AE2 FAD 3.0303
28 4DE3 DN8 3.04183
29 6H45 QEI 3.06122
30 2QLU ADE 3.18471
31 4FHT DHB 3.18471
32 5AEW BNL 3.19149
33 2X1L ADN 3.24427
34 3ACC 5GP 3.31492
35 3QDK QDK 3.38681
36 4JB1 FAD 3.52941
37 4JB1 NAP 3.52941
38 4UCF GLA 3.56506
39 1E8G FCR 3.57143
40 1E8G FAD 3.57143
41 2JK0 ASP 3.69231
42 6F3G CJN 3.72881
43 2Q4W FAD 3.81679
44 4B47 GDP 3.85675
45 5H4S RAM 3.87324
46 1YZG GDP 3.91061
47 1YBH P22 3.92157
48 4A59 AMP 3.92157
49 4O6M C5P 4.03226
50 2GUC MAN 4.09836
51 2HYR BGC GLC 4.09836
52 2HYQ MAN MAN 4.09836
53 2GUD BMA 4.09836
54 2GUD MAN 4.09836
55 2NUO BGC 4.09836
56 2NU5 NAG 4.09836
57 1FIQ FAD 4.10959
58 3BRE C2E 4.18994
59 3B6C SDN 4.2735
60 6F5W KG1 4.33604
61 5G5G FAD 4.36681
62 3OZG SSI 4.4
63 3LL5 IP8 4.41767
64 4ZNO SUC 4.47761
65 3GD8 GOL 4.4843
66 3UN3 G16 4.51128
67 3C8Z 5CA 4.58937
68 3PN1 IVH 4.71698
69 4OVZ P85 4.74684
70 6AM8 TRP 4.79798
71 4F9C 0SX 4.86111
72 1RM6 FAD 4.96894
73 4XDY HIO 5.02959
74 3HQP OXL 5.21042
75 3JUC PCA 5.22876
76 1XVB BHL 5.29412
77 1XVB BHL BHL 5.29412
78 3NRZ FAD 5.4878
79 1FDJ 13P 5.50964
80 1FFU FAD 5.52147
81 3AKK ADP 5.53846
82 1XTT U5P 5.55556
83 3TD3 GLY 5.69106
84 2NZ5 226 5.81114
85 1GPM AMP 5.90476
86 4JLS 3ZE 5.92105
87 4CQM NAP 6.13027
88 1JA9 PYQ 6.20438
89 1GSA ADP 6.32911
90 2YVJ NAI 6.42202
91 4CP9 GAL CN8 6.61157
92 3HRD FAD 6.66667
93 3M6P BB2 6.73575
94 2WW4 ADP 7.06714
95 5C9J DAO 7.07071
96 4P8K 38C 7.13012
97 4P8K FAD 7.13012
98 1T3Q FAD 7.14286
99 3DLS ADP 7.16418
100 3OCP CMP 7.19424
101 1N62 FAD 7.22892
102 2JFN GLU 7.36842
103 3FUU ADN 7.38007
104 1LNX URI 7.40741
105 3NBC LAT 7.43243
106 3KIF GDL 7.54717
107 5TVI O8N 7.6087
108 2DC1 CIT 7.62712
109 5CX6 CDP 7.66488
110 1V1A ADP 7.76699
111 3CQL NAG 7.81893
112 2GQT FAD 7.83582
113 5TV6 PML 7.91667
114 4BQS ADP 7.95455
115 3CQ5 PMP 8.13008
116 4ZOH FAD 8.33333
117 2QN6 GDP 8.60215
118 2NU8 COA 8.76289
119 3E3U NVC 9.13706
120 1UPF URF 9.82143
121 5Y6Q FAD 10
122 2UUU FAD 10.5169
123 2UUU PL3 10.5169
124 3W8X FAD 10.6838
125 3W8X FTK 10.6838
126 4UUU SAM 10.9677
127 5TCI MLI 12.6829
128 4AUT FAD 13.0342
129 3QDW A2G 14.6853
130 3QDV A2G 14.6853
131 1WUW TSU 15.5556
132 1HSK FAD 20.5521
133 1SQK LAR 24
134 1NME 159 28.2609
135 1PVC ILE SER GLU VAL 30.8824
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