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Receptor
PDB id Resolution Class Description Source Keywords
5AE2 2 Å EC: 2.5.1.26 ETHER LIPID-GENERATING ENZYME AGPS IN COMPLEX WITH INHIBITOR 1E CAVIA PORCELLUS TRANSFERASE ETHER PHOSPHOLIPID CANCER FLAVIN
Ref.: DISCOVERY OF INHIBITORS FOR THE ETHER LIPID-GENERAT ENZYME AGPS AS ANTI-CANCER AGENTS. ACS CHEM.BIOL. V. 10 2589 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:999;
C:999;
D:999;
B:999;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
SO4 C:1659;
B:1659;
D:1659;
A:1659;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
FYC B:888;
D:888;
C:888;
A:888;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
325.337 C18 H16 F N3 O2 C/C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5AE2 2 Å EC: 2.5.1.26 ETHER LIPID-GENERATING ENZYME AGPS IN COMPLEX WITH INHIBITOR 1E CAVIA PORCELLUS TRANSFERASE ETHER PHOSPHOLIPID CANCER FLAVIN
Ref.: DISCOVERY OF INHIBITORS FOR THE ETHER LIPID-GENERAT ENZYME AGPS AS ANTI-CANCER AGENTS. ACS CHEM.BIOL. V. 10 2589 2015
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5AE3 - AWB C28 H40 N2 O9 CCCCCC[C@@....
2 5AE1 - B2Z C19 H20 F N3 O2 C[C@@H](CC....
3 5AE2 - FYC C18 H16 F N3 O2 C/C(=Cc1cc....
4 4BC9 - CNV FAD n/a n/a
5 4BCA - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 4BBY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 4BC7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 5ADZ - KQS C18 H18 F N3 O2 C[C@@H](CC....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5AE3 - AWB C28 H40 N2 O9 CCCCCC[C@@....
2 5AE1 - B2Z C19 H20 F N3 O2 C[C@@H](CC....
3 5AE2 - FYC C18 H16 F N3 O2 C/C(=Cc1cc....
4 4BC9 - CNV FAD n/a n/a
5 4BCA - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 4BBY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 4BC7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 5ADZ - KQS C18 H18 F N3 O2 C[C@@H](CC....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5AE3 - AWB C28 H40 N2 O9 CCCCCC[C@@....
2 5AE1 - B2Z C19 H20 F N3 O2 C[C@@H](CC....
3 5AE2 - FYC C18 H16 F N3 O2 C/C(=Cc1cc....
4 4BC9 - CNV FAD n/a n/a
5 4BCA - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 4BBY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 4BC7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 5ADZ - KQS C18 H18 F N3 O2 C[C@@H](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
Ligand no: 2; Ligand: FYC; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 FYC 1 1
2 KQS 0.518072 0.842105
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5AE2; Ligand: FYC; Similar sites found with APoc: 154
This union binding pocket(no: 1) in the query (biounit: 5ae2.bio2) has 66 residues
No: Leader PDB Ligand Sequence Similarity
1 4TS1 TYR 1.25392
2 4YSW NAI 1.51976
3 1V97 FAD 1.51976
4 4YSW FAD 1.51976
5 4O6M C5P 1.6129
6 3AJH BL3 1.67173
7 4O1P ANP 1.67173
8 5CX6 CDP 1.70213
9 2F6U CIT 1.7094
10 3C8Z 5CA 1.93237
11 1XL8 OCB 1.96078
12 2RDE C2E 1.99203
13 1V47 ADX 2.00573
14 1WDI CIT 2.02899
15 5Y0Q APC 2.30415
16 1W6U HXC 2.31788
17 3QMN A3P 2.32558
18 4L9I 8PR 2.38095
19 3LL5 IP8 2.40964
20 5EJL C2E 2.41935
21 4WNP 3RJ 2.43902
22 2HHP FLC 2.45283
23 2DVZ GLU 2.54777
24 5GVR LMR 2.5641
25 2MBR FAD 2.64706
26 2MBR EPU 2.64706
27 2PS1 ORO 2.65487
28 2PS1 PRP 2.65487
29 1YRB GDP 2.67176
30 3GD8 GOL 2.69058
31 3EBL GA4 2.73973
32 3ACC 5GP 2.76243
33 1XTT U5P 2.77778
34 3OZG SSI 2.8
35 5LKC FUC GLA A2G 2.92208
36 1SJN DUP 2.94118
37 1N62 FAD 3.01205
38 2I0K FAD 3.0303
39 4DR9 BB2 3.125
40 1O5O U5P 3.16742
41 1VKF CIT 3.19149
42 5VJN IR8 3.20856
43 5VJN ADE 3.20856
44 1H3F TYE 3.24074
45 3BM1 FMN 3.27869
46 4EE7 PIS 3.28947
47 2GQT FAD 3.35821
48 1MZV AMP 3.40426
49 5G5G FAD 3.45912
50 5VSM MET 3.45912
51 5N2D 8J8 3.47222
52 3NC9 TR3 3.51438
53 2Z3U CRR 3.52941
54 1SJD NPG 3.53261
55 2JBH 5GP 3.55556
56 6GNO XDI 3.7037
57 3ET1 ET1 3.78007
58 3SP6 IL2 3.85965
59 5NIU 8YZ 3.90625
60 3A16 PXO 4.02145
61 1F0X FAD 4.02802
62 5N2F 8HW 4.03226
63 1F9V ADP 4.03458
64 6FA4 D1W 4.04624
65 4FFG 0U8 4.06504
66 6F5W KG1 4.06504
67 3UEC ALA ARG TPO LYS 4.10959
68 1YNS HPO 4.21456
69 4P86 5GP 4.37158
70 5EYW PGA 4.41767
71 2VL1 GLY GLY 4.43038
72 3AFH GSU 4.5082
73 1UYY BGC BGC 4.58015
74 5TDF 7A3 4.62963
75 5TDF ADE 4.62963
76 5DQY BEZ 4.7619
77 1L1Q 9DA 4.83871
78 1T3Q FAD 4.86111
79 5X7Q GLC GLC GLC GLC GLC 4.86322
80 4ZM4 PLP 4.9217
81 5F6U 5VK 5.09554
82 4O48 ASP 5.12048
83 5Y6Q FAD 5.15152
84 2F7A BEZ 5.17241
85 1UPF URF 5.35714
86 3E3U NVC 5.58376
87 4MPO AMP 5.88235
88 6E8I PTR 5.91716
89 1QB7 ADE 5.9322
90 3KP6 SAL 5.96026
91 2WW4 ADP 6.00707
92 4P83 U5P 6.04396
93 2Q37 3AL 6.07735
94 3UWV 2PG 6.13027
95 6BMS POV 6.15836
96 1PZM 5GP 6.16114
97 2QMC GTB 6.38298
98 1QK3 5GP 6.43777
99 1SW0 PGA 6.45161
100 1RM6 FAD 6.48148
101 3ET3 ET1 6.50685
102 4P5E N6P 6.57895
103 1J0D 5PA 6.74487
104 1P19 IMP 6.78733
105 1Q23 FUA 6.84932
106 6GVZ CHO 6.88525
107 1RV1 IMZ 7.05882
108 6GW4 CHO 7.16612
109 1LSH PLD 7.21003
110 4JLS 3ZE 7.23684
111 1FIQ FAD 7.30594
112 1MID LAP 7.69231
113 4ZOH FAD 7.7381
114 1HSK FAD 7.97546
115 4OKE AMP 8.33333
116 5F1V 3VN 8.41751
117 1DQN IMU 8.69565
118 3MBI HSX 8.7108
119 1HGX 5GP 8.74317
120 3B6O TMP 9.31174
121 3AB4 THR 9.55056
122 1H5T TYD 9.55631
123 5C9P FUC 9.71129
124 3NRZ FAD 9.7561
125 5OCG 9R5 10.0529
126 3RK1 ATP 10.9705
127 1LNX URI 11.1111
128 1VBO MAN MAN MAN 11.4094
129 3B6C SDN 11.5385
130 4P8K 38C 11.875
131 4P8K FAD 11.875
132 4AUT FAD 12.1795
133 1FFU FAD 12.8834
134 1KZL CRM 12.9808
135 3HRD FAD 13.1757
136 1Y2W NAG 13.3803
137 5FUI APY 14.3939
138 1BWO LPC 14.4444
139 3W8X FAD 14.5299
140 3W8X FTK 14.5299
141 3B9Q MLI 14.9007
142 2Q4W FAD 16.0305
143 1E8G FCR 16.9643
144 1E8G FAD 16.9643
145 2OG2 MLI 17.5487
146 1VAY AZA 18.8153
147 4MGA 27L 19.2157
148 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 21.0526
149 3EFS BTN 22.3176
150 2QQC AG2 22.3214
151 2ASF CIT 24.0876
152 4ZFL 4NK 24.7863
153 4JB1 FAD 27.0588
154 4JB1 NAP 27.0588
Pocket No.: 2; Query (leader) PDB : 5AE2; Ligand: FAD; Similar sites found with APoc: 191
This union binding pocket(no: 2) in the query (biounit: 5ae2.bio2) has 48 residues
No: Leader PDB Ligand Sequence Similarity
1 5C2N NAG None
2 6FAA ADP 0.916031
3 4Q86 AMP 1.19454
4 4YSW NAI 1.51976
5 1V97 FAD 1.51976
6 4YSW FAD 1.51976
7 4O6M C5P 1.6129
8 2WGH DTP 1.67173
9 4O1P ANP 1.67173
10 5CX6 CDP 1.70213
11 2F6U CIT 1.7094
12 6AM8 TRP 1.76768
13 1ZVW PRP 1.85185
14 5OSW AE4 1.88679
15 2QLU ADE 1.91083
16 3C8Z 5CA 1.93237
17 1RRC ADP 1.99336
18 3HQP OXL 2.00401
19 1V47 ADX 2.00573
20 1WDI CIT 2.02899
21 4XFR CIT 2.10773
22 3BRE C2E 2.23464
23 5Y0Q APC 2.30415
24 1MJT ITU 2.30548
25 1W6U HXC 2.31788
26 3QMN A3P 2.32558
27 3LL5 IP8 2.40964
28 4WNP 3RJ 2.43902
29 2HHP FLC 2.45283
30 2JK0 ASP 2.46154
31 1FDJ 13P 2.47934
32 2J9D ADP 2.52101
33 2DVZ GLU 2.54777
34 5GVR LMR 2.5641
35 5K8P 6R8 2.58824
36 5AX9 4KT 2.5974
37 2MBR FAD 2.64706
38 2MBR EPU 2.64706
39 2PS1 ORO 2.65487
40 2PS1 PRP 2.65487
41 1YRB GDP 2.67176
42 4ZNO SUC 2.68657
43 3GD8 GOL 2.69058
44 2BHZ MAL 2.73556
45 3EBL GA4 2.73973
46 3ACC 5GP 2.76243
47 1XTT U5P 2.77778
48 3OZG SSI 2.8
49 5H4S RAM 2.8169
50 3OF1 CMP 2.84553
51 5LKC FUC GLA A2G 2.92208
52 1SJN DUP 2.94118
53 4QYS PLR 2.94118
54 1N62 FAD 3.01205
55 2I0K FAD 3.0303
56 5M45 AMP 3.03951
57 1O5O U5P 3.16742
58 1VKF CIT 3.19149
59 3WLV AZA 3.20513
60 2G50 ALA 3.20755
61 5VJN ADE 3.20856
62 5VJN IR8 3.20856
63 3BM1 FMN 3.27869
64 3GGF GVD 3.32226
65 2GQT FAD 3.35821
66 1MZV AMP 3.40426
67 5TCI MLI 3.41463
68 6DWI HD4 3.43348
69 5G5G FAD 3.45912
70 1ZOS MTM 3.47826
71 5KDX GAL TNR 3.49544
72 3NC9 TR3 3.51438
73 5YRJ BGC GLC 3.52113
74 5YRM BGC GLC 3.52113
75 5YRG BGC GLC 3.52113
76 1SJD NPG 3.53261
77 2JBH 5GP 3.55556
78 1F0X FAD 4.02802
79 1F9V ADP 4.03458
80 6FA4 D1W 4.04624
81 1TV5 ORO 4.06321
82 6F5W KG1 4.06504
83 3UEC ALA ARG TPO LYS 4.10959
84 1JG0 UMP 4.16667
85 2X65 M1P 4.16667
86 4P86 5GP 4.37158
87 5EYW PGA 4.41767
88 2VL1 GLY GLY 4.43038
89 3AFH GSU 4.5082
90 4RKX 3S9 4.5977
91 5TDF 7A3 4.62963
92 5TDF ADP 4.62963
93 5TDF ADE 4.62963
94 1L1Q 9DA 4.83871
95 1T3Q FAD 4.86111
96 4ZM4 PLP 4.9217
97 4LPS GDP 4.95868
98 2H92 C5P 5.02283
99 4O48 ASP 5.12048
100 5Y6Q FAD 5.15152
101 2X7I CIT 5.19481
102 4QM7 GTP 5.26316
103 1UPF URF 5.35714
104 3E3U NVC 5.58376
105 6EKZ SNP 5.79268
106 3N8K D1X 5.81395
107 4MPO AMP 5.88235
108 2NV2 GLN 5.88235
109 1IXI 2HP 5.919
110 1QB7 ADE 5.9322
111 2WW4 ADP 6.00707
112 4P83 U5P 6.04396
113 3UWV 2PG 6.13027
114 1PZM 5GP 6.16114
115 4MDB RLT 6.22222
116 6BR8 6OU 6.34921
117 2ZSH GA3 6.36364
118 2QMC GTB 6.38298
119 1QK3 5GP 6.43777
120 1SW0 PGA 6.45161
121 1RM6 FAD 6.48148
122 4P5E N6P 6.57895
123 1WAP TRP 6.66667
124 1J0D 5PA 6.74487
125 1P19 IMP 6.78733
126 2FT0 ACO 6.80851
127 6GVZ CHO 6.88525
128 6GW4 CHO 7.16612
129 1LSH PLD 7.21003
130 4JLS 3ZE 7.23684
131 1FIQ FAD 7.30594
132 2OL1 UMP 7.48299
133 1KDO C 7.48899
134 1MID LAP 7.69231
135 4ZOH FAD 7.7381
136 2JGV ADP 7.87879
137 1YBQ BDH 7.94872
138 4YMZ 13P 7.96813
139 1HSK FAD 7.97546
140 1A0J BEN 8.07175
141 1FTH A3P 8.19672
142 4OKE AMP 8.33333
143 5F1V 3VN 8.41751
144 5LX9 OLA 8.46906
145 1DQN IMU 8.69565
146 3MBI HSX 8.7108
147 1HGX 5GP 8.74317
148 4L50 D8X 9.02256
149 3B6O TMP 9.31174
150 5C9P FUC 9.71129
151 3NRZ FAD 9.7561
152 2FLI DX5 10
153 5OCG 9R5 10.0529
154 2PRG BRL 10.2273
155 2RIF AMP 10.6383
156 3RK1 ATP 10.9705
157 1LNX URI 11.1111
158 1L7N ALF 11.3744
159 1VBO MAN MAN MAN 11.4094
160 3B6C SDN 11.5385
161 2JKY 5GP 11.7371
162 4P8K 38C 11.875
163 4P8K FAD 11.875
164 4AUT FAD 12.1795
165 4FHT DHB 12.7389
166 1FFU FAD 12.8834
167 3HRD FAD 13.1757
168 5V03 658 13.7255
169 5FUI APY 14.3939
170 3W8X FAD 14.5299
171 3W8X FTK 14.5299
172 3B9Q MLI 14.9007
173 2Q4W FAD 16.0305
174 6BJO DUY 16.8
175 1E8G FCR 16.9643
176 1E8G FAD 16.9643
177 3NIM ARG ARG ALA ALA 17.0732
178 2ZX2 RAM 17.4359
179 2OG2 MLI 17.5487
180 1VAY AZA 18.8153
181 1WUW TSU 20
182 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 21.0526
183 1W0H AMP 22.0588
184 1N13 AG2 22.1239
185 3EFS BTN 22.3176
186 2QQC AG2 22.3214
187 4RHY 3QG 23.3831
188 3RMK BML 24.0964
189 4JB1 FAD 27.0588
190 4JB1 NAP 27.0588
191 5LWY OLA 28.0374
Pocket No.: 3; Query (leader) PDB : 5AE2; Ligand: FYC; Similar sites found with APoc: 70
This union binding pocket(no: 3) in the query (biounit: 5ae2.bio2) has 68 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 5C2N NAG None
3 2YJD YJD 1.66667
4 5KOR GDP 1.72745
5 5A1S FLC 1.78571
6 5OSW DIU 1.88679
7 5Y0N ATP 2.06897
8 4U8P UDP 2.14425
9 1LNM DTX 2.17391
10 5TWO 7MV 2.20588
11 4KVL PLM 2.25443
12 2B56 U5P 2.5641
13 1YC4 43P 2.65152
14 5TZO 7V7 2.65957
15 6E1Q CFA 2.68908
16 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.72109
17 5UC4 83S 2.72727
18 5URY PAM 2.73973
19 5H4S RAM 2.8169
20 4UDB CV7 2.94118
21 2HIM ASN 3.07263
22 4OAR 2S0 3.10078
23 2BCG GER 3.39806
24 5TVA COA 3.75
25 1Q19 SSC 3.77734
26 1W5T ANP 3.8835
27 4WGF HX2 3.90244
28 1TV5 N8E 4.06321
29 5N53 8NB 4.10256
30 2VAR AMP 4.15335
31 2GJ5 VD3 4.32099
32 3RY9 1CA 4.4
33 4E2J MOF 4.4
34 3GN8 DEX 4.41767
35 5UFS 1TA 4.43548
36 3TA2 ATP 5.08475
37 2G2Y MLI 5.19481
38 4QM7 GTP 5.26316
39 4NS0 PIO 5.26316
40 5XGX DAS DLY 5.56962
41 1DCP HBI 5.76923
42 2GC0 PAN 5.85106
43 1IXI 2HP 5.919
44 1M2Z DEX 6.22568
45 4P6X HCY 6.27451
46 6BR8 6OU 6.34921
47 1WAP TRP 6.66667
48 4JGX PLM 6.97674
49 5L7G 6QE 7.86885
50 1YBQ BDH 7.94872
51 5LRT ADP 8.07087
52 3WR7 COA 8.23529
53 3F4F UMP 8.38323
54 5LX9 OLB 8.46906
55 5LX9 OLA 8.46906
56 4NTO 1PW 8.69565
57 1FX8 BOG 8.8968
58 1H5R THM 9.55631
59 1H5S TMP 9.55631
60 6CS8 F9Y 9.57096
61 1HBK MYR 10.1124
62 5H2U 1N1 10.4869
63 4JX1 CAH 10.6195
64 1GXU 2HP 12.0879
65 5V03 658 13.7255
66 5ABU GTG 14.2857
67 2ZX2 RAM 17.4359
68 2BJ4 OHT 19.4444
69 4TV1 36M 19.5219
70 5W97 CHD 21.4286
Pocket No.: 4; Query (leader) PDB : 5AE2; Ligand: FAD; Similar sites found with APoc: 80
This union binding pocket(no: 4) in the query (biounit: 5ae2.bio2) has 68 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 4TS1 TYR 1.25392
3 2YJD YJD 1.66667
4 3AJH BL3 1.67173
5 5KOR GDP 1.72745
6 5A1S FLC 1.78571
7 5OSW DIU 1.88679
8 1XL8 OCB 1.96078
9 2RDE C2E 1.99203
10 5Y0N ATP 2.06897
11 4U8P UDP 2.14425
12 1LNM DTX 2.17391
13 5TWO 7MV 2.20588
14 4KVL PLM 2.25443
15 5EJL C2E 2.41935
16 2B56 U5P 2.5641
17 1YC4 43P 2.65152
18 5TZO 7V7 2.65957
19 6E1Q CFA 2.68908
20 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.72109
21 5UC4 83S 2.72727
22 5URY PAM 2.73973
23 4UDB CV7 2.94118
24 2HIM ASN 3.07263
25 4OAR 2S0 3.10078
26 2BCG GER 3.39806
27 2Z3U CRR 3.52941
28 6GNO XDI 3.7037
29 5TVA COA 3.75
30 1Q19 SSC 3.77734
31 3ET1 ET1 3.78007
32 1W5T ANP 3.8835
33 4WGF HX2 3.90244
34 5NIU 8YZ 3.90625
35 1TV5 N8E 4.06321
36 4FFG 0U8 4.06504
37 5N53 8NB 4.10256
38 2VAR AMP 4.15335
39 2GJ5 VD3 4.32099
40 3RY9 1CA 4.4
41 4E2J MOF 4.4
42 3GN8 DEX 4.41767
43 5UFS 1TA 4.43548
44 1UYY BGC BGC 4.58015
45 5DQY BEZ 4.7619
46 5X7Q GLC GLC GLC GLC GLC 4.86322
47 3TA2 ATP 5.08475
48 5F6U 5VK 5.09554
49 2F7A BEZ 5.17241
50 2G2Y MLI 5.19481
51 4NS0 PIO 5.26316
52 5XGX DAS DLY 5.56962
53 1DCP HBI 5.76923
54 2GC0 PAN 5.85106
55 6BMS POV 6.15836
56 1M2Z DEX 6.22568
57 4P6X HCY 6.27451
58 3ET3 ET1 6.50685
59 1Q23 FUA 6.84932
60 4JGX PLM 6.97674
61 5L7G 6QE 7.86885
62 5LRT ADP 8.07087
63 3WR7 COA 8.23529
64 3F4F UMP 8.38323
65 5LX9 OLB 8.46906
66 4NTO 1PW 8.69565
67 1FX8 BOG 8.8968
68 3AB4 THR 9.55056
69 1H5R THM 9.55631
70 1H5S TMP 9.55631
71 6CS8 F9Y 9.57096
72 1HBK MYR 10.1124
73 5H2U 1N1 10.4869
74 4JX1 CAH 10.6195
75 1GXU 2HP 12.0879
76 1KZL CRM 12.9808
77 5ABU GTG 14.2857
78 2BJ4 OHT 19.4444
79 4TV1 36M 19.5219
80 5W97 CHD 21.4286
Pocket No.: 5; Query (leader) PDB : 5AE2; Ligand: FYC; Similar sites found with APoc: 89
This union binding pocket(no: 5) in the query (biounit: 5ae2.bio1) has 68 residues
No: Leader PDB Ligand Sequence Similarity
1 2D3N GLC GLC GLC 1.64948
2 5C3R AKG 1.74927
3 5C3R HMU 1.74927
4 4H4D 10E 1.82371
5 2QLU ADE 1.91083
6 3O01 DXC 1.94805
7 5MBC FMN 1.983
8 2OJW ADP 2.08333
9 2X1L ADN 2.09924
10 3T1A 5MA 2.13144
11 3BRE C2E 2.23464
12 4RF7 ARG 2.27964
13 1KGI T4A 2.3622
14 2J9C ATP 2.52101
15 2J9D ADP 2.52101
16 4YVN EBS 2.53411
17 4WCX MET 2.70833
18 5IKR ID8 2.72232
19 3GJB AKG 2.82132
20 4B0T ADP 3.0426
21 1SR7 MOF 3.0888
22 2YGO PCF 3.19149
23 4IV9 TSR 3.2316
24 1Q6O LG6 3.24074
25 4AFH L0B 3.47826
26 4UTW RFW 3.49345
27 5YRJ BGC GLC 3.52113
28 4Z3E GAL NGA GLA BGC GAL 3.53535
29 4RQL SNE 3.57143
30 4WOE ADP 3.64742
31 2I7N ACO 3.64742
32 6BFN DL1 3.80117
33 3OID TCL 3.87597
34 2J73 GLC GLC GLC 3.8835
35 5FPE 3TR 4.13437
36 3NCQ ATP 4.20168
37 5LUN OGA 4.26136
38 3R5W F42 4.46429
39 5EQ8 HSO 4.69314
40 4MLO PAM 4.71014
41 5H9Y BGC BGC BGC BGC BGC 4.71125
42 4Q0P 0MK 5
43 4DXD 9PC 5.30303
44 5MST FUM 5.31915
45 2I8T GDD 5.38922
46 2AZ5 307 5.40541
47 1N9L FMN 5.50459
48 1GPM AMP 5.52381
49 4RLQ 3SK 5.58767
50 1NHZ 486 5.71429
51 3QRC SCR 5.73248
52 2YGN PCF 5.76923
53 6EKZ SNP 5.79268
54 5FLJ QUE 5.91398
55 2VQ5 HBA 5.97015
56 5GLT BGC GAL NAG GAL 5.98592
57 5Y4R C2E 6.2069
58 5XLY C2E 6.76692
59 4WN5 MVC 6.95652
60 3CBC DBS 7.07071
61 4NAE 1GP 7.11111
62 4R38 RBF 7.14286
63 4WVW SLT 7.63889
64 3FW4 CAQ 7.86517
65 1TT8 PHB 7.92683
66 6DIO CIT 8.62471
67 2ALG DAO 8.69565
68 2ALG HP6 8.69565
69 2C3W GLC GLC GLC GLC 8.82353
70 3P7N FMN 8.91473
71 3WG3 A2G GAL NAG FUC 8.98876
72 2P7Q GG6 9.02256
73 2ADA HPR 9.375
74 2XG5 EC5 9.63303
75 2XG5 EC2 9.63303
76 4RT1 C2E 9.82143
77 2PRG BRL 10.2273
78 4QXB OGA 10.2941
79 1VBO MAN 11.4094
80 2QJY UQ2 11.7647
81 4L4J NAG NAG BMA MAN NAG 12.2172
82 4RYV ZEA 12.9032
83 6B2M COA 13.2867
84 1V3S ATP 13.7931
85 5HZX 2GE 14.2045
86 1MDC PLM 14.3939
87 3FW9 SLX 14.5455
88 4M1U A2G MBG 18.5714
89 2QZO KN1 20.5426
Pocket No.: 6; Query (leader) PDB : 5AE2; Ligand: FYC; Similar sites found with APoc: 36
This union binding pocket(no: 6) in the query (biounit: 5ae2.bio1) has 68 residues
No: Leader PDB Ligand Sequence Similarity
1 1YKD CMP 1.75879
2 1ZVW PRP 1.85185
3 3H4L ANP 1.90736
4 5LY2 OGA 2.09974
5 2QPU QPU 2.22222
6 2QPU QPS 2.22222
7 4CJN QNZ 2.49221
8 3T4L ZEA 2.96296
9 5HCV 60R 3.11284
10 2A3I C0R 3.16206
11 3KIF GDL 3.77358
12 2J73 GLC GLC GLC GLC 3.8835
13 3P2H NOO 3.9801
14 2Q1H AS4 4
15 5X1M DHB 4.10334
16 4EI7 GDP 4.11311
17 1S20 TLA 4.41176
18 4D06 NAR 4.59364
19 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 4.78723
20 5H9P TD2 5.06329
21 1YYE 196 5.22388
22 1KQW RTL 5.22388
23 4USF 6UI 5.26316
24 3L9W FMN 5.32688
25 4EHQ GBL 5.40541
26 4K55 H6P 5.64516
27 1DZK PRZ 5.73248
28 4LSJ LSJ 6.20155
29 2CE7 ADP 6.30252
30 1DTL BEP 6.8323
31 5DQ8 FLF 7.5
32 3A6T 8OG 10.8527
33 1L7N AF3 11.3744
34 5TVF CGQ 11.7647
35 6CAY ERG 17.1598
36 4O9S 2RY 17.2093
Pocket No.: 7; Query (leader) PDB : 5AE2; Ligand: FAD; Similar sites found with APoc: 88
This union binding pocket(no: 7) in the query (biounit: 5ae2.bio1) has 68 residues
No: Leader PDB Ligand Sequence Similarity
1 2D3N GLC GLC GLC 1.64948
2 5C3R HMU 1.74927
3 5C3R AKG 1.74927
4 4H4D 10E 1.82371
5 3O01 DXC 1.94805
6 5MBC FMN 1.983
7 2OJW ADP 2.08333
8 2X1L ADN 2.09924
9 3T1A 5MA 2.13144
10 4RF7 ARG 2.27964
11 1KGI T4A 2.3622
12 2J9C ATP 2.52101
13 4YVN EBS 2.53411
14 4WCX MET 2.70833
15 5IKR ID8 2.72232
16 3GJB AKG 2.82132
17 4B0T ADP 3.0426
18 1SR7 MOF 3.0888
19 2YGO PCF 3.19149
20 4IV9 TSR 3.2316
21 1Q6O LG6 3.24074
22 5N2D 8J8 3.47222
23 4AFH L0B 3.47826
24 4UTW RFW 3.49345
25 4Z3E GAL NGA GLA BGC GAL 3.53535
26 4RQL SNE 3.57143
27 4WOE ADP 3.64742
28 2I7N ACO 3.64742
29 6BFN DL1 3.80117
30 3OID TCL 3.87597
31 2J73 GLC GLC GLC 3.8835
32 3A16 PXO 4.02145
33 5N2F 8HW 4.03226
34 5FPE 3TR 4.13437
35 3NCQ ATP 4.20168
36 5LUN OGA 4.26136
37 3R5W F42 4.46429
38 5EQ8 HSO 4.69314
39 4MLO PAM 4.71014
40 5H9Y BGC BGC BGC BGC BGC 4.71125
41 4Q0P 0MK 5
42 4DXD 9PC 5.30303
43 5MST FUM 5.31915
44 2I8T GDD 5.38922
45 2AZ5 307 5.40541
46 1N9L FMN 5.50459
47 1GPM AMP 5.52381
48 4RLQ 3SK 5.58767
49 1NHZ 486 5.71429
50 3QRC SCR 5.73248
51 2YGN PCF 5.76923
52 5FLJ QUE 5.91398
53 2VQ5 HBA 5.97015
54 5GLT BGC GAL NAG GAL 5.98592
55 5Y4R C2E 6.2069
56 5XLY C2E 6.76692
57 4WN5 MVC 6.95652
58 3CBC DBS 7.07071
59 4NAE 1GP 7.11111
60 4R38 RBF 7.14286
61 4WVW SLT 7.63889
62 3FW4 CAQ 7.86517
63 1TT8 PHB 7.92683
64 6DIO CIT 8.62471
65 2ALG DAO 8.69565
66 2ALG HP6 8.69565
67 2C3W GLC GLC GLC GLC 8.82353
68 3P7N FMN 8.91473
69 3WG3 A2G GAL NAG FUC 8.98876
70 2P7Q GG6 9.02256
71 2ADA HPR 9.375
72 2XG5 EC2 9.63303
73 2XG5 EC5 9.63303
74 4RT1 C2E 9.82143
75 4QXB OGA 10.2941
76 1VBO MAN 11.4094
77 2QJY UQ2 11.7647
78 4L4J NAG NAG BMA MAN NAG 12.2172
79 4RYV ZEA 12.9032
80 6B2M COA 13.2867
81 1V3S ATP 13.7931
82 5HZX 2GE 14.2045
83 1MDC PLM 14.3939
84 1BWO LPC 14.4444
85 3FW9 SLX 14.5455
86 4M1U A2G MBG 18.5714
87 2QZO KN1 20.5426
88 4ZFL 4NK 24.7863
Pocket No.: 8; Query (leader) PDB : 5AE2; Ligand: FAD; Similar sites found with APoc: 46
This union binding pocket(no: 8) in the query (biounit: 5ae2.bio1) has 49 residues
No: Leader PDB Ligand Sequence Similarity
1 2VHL GLP 1.51515
2 1K0E TRP 1.98676
3 5JIL 6KL 2.06186
4 4MRP GSH 2.11726
5 4KQR VPP 2.12766
6 5CGE 51F 2.16606
7 6F7X MFU 2.22222
8 4XGU ADP 2.35849
9 2O1V ADP 2.58359
10 2GND MAN MMA 2.77778
11 3TAO PGH 2.99625
12 3KB6 LAC 3.29341
13 5VSM 5AD 3.45912
14 2Y6P CTP 3.84615
15 1TRD PGH 4
16 6HKE MLT 4.08805
17 5X1M DHB 4.10334
18 6GH9 MIX 4.10959
19 4EI7 GDP 4.11311
20 3WW2 SF9 4.29688
21 1GXS DKA 4.44444
22 5MJA 7O3 4.59016
23 1LTZ HBI 4.7138
24 5JDI 6JO 4.86111
25 1S17 GNR 5
26 1TL2 NDG 5.08475
27 3L9W FMN 5.32688
28 3L9W AMP 5.32688
29 4EHQ GBL 5.40541
30 1DKQ IHP 5.60976
31 3WCZ CIT 5.84416
32 5HRA DAS 5.95745
33 3W9F I3P 6.15385
34 4TO8 FLC 6.16438
35 5MVR ADP 6.17284
36 5MTE BB2 6.56934
37 6F3G CJN 6.77966
38 2CBO TH2 7.82609
39 4Z2S NDG 8.4507
40 4Z2S NAG 8.4507
41 5T8U LPA 8.88889
42 4XZ9 G3P 10.3139
43 1L7N AF3 11.3744
44 1Y2W NAG 13.3803
45 3NIP 16D 15.0307
46 3DZ6 M8E 37.3134
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