-->
Receptor
PDB id Resolution Class Description Source Keywords
1AL8 2.2 Å EC: 1.1.3.15 THREE-DIMENSIONAL STRUCTURE OF GLYCOLATE OXIDASE WITH BOUND SITE INHIBITORS SPINACIA OLERACEA FLAVOPROTEIN DRUG DESIGN INHIBITOR BINDING
Ref.: THREE-DIMENSIONAL STRUCTURES OF GLYCOLATE OXIDASE W ACTIVE-SITE INHIBITORS. PROTEIN SCI. V. 6 1009 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DHP A:361;
Valid;
none;
Ki = 4.8 uM
253.337 C14 H23 N O3 CCCCC...
FMN A:360;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1AL8 2.2 Å EC: 1.1.3.15 THREE-DIMENSIONAL STRUCTURE OF GLYCOLATE OXIDASE WITH BOUND SITE INHIBITORS SPINACIA OLERACEA FLAVOPROTEIN DRUG DESIGN INHIBITOR BINDING
Ref.: THREE-DIMENSIONAL STRUCTURES OF GLYCOLATE OXIDASE W ACTIVE-SITE INHIBITORS. PROTEIN SCI. V. 6 1009 1997
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1AL8 Ki = 4.8 uM DHP C14 H23 N O3 CCCCCCCCCC....
2 1GOX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1AL8 Ki = 4.8 uM DHP C14 H23 N O3 CCCCCCCCCC....
2 1GOX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1AL8 Ki = 4.8 uM DHP C14 H23 N O3 CCCCCCCCCC....
2 1GOX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 3SGZ - HO6 C10 H8 N2 O2 S2 Cc1ccc(cc1....
4 1TB3 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 1P5B - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 2A7N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 1HUV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 2A85 - HOC C8 H16 O3 CCCCCC[C@@....
9 3GIY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 1P4C - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 2A7P - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 1KBI - PYR C3 H4 O3 CC(=O)C(=O....
13 1FCB - PYR C3 H4 O3 CC(=O)C(=O....
14 6BFG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 2RDW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 2RDT Ki ~ 15 nM 2RD C15 H27 N3 O2 S CCCCCCCCCC....
17 2RDU - GLV C2 H2 O3 C(=O)C(=O)....
18 2J6X - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 4YL2 - PYR C3 H4 O3 CC(=O)C(=O....
20 2DU2 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 2E77 - PYR C3 H4 O3 CC(=O)C(=O....
22 2ZFA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
23 4RJE - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
24 2NLI - LAC C3 H6 O3 C[C@H](C(=....
25 1KBJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DHP; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 DHP 1 1
Ligand no: 2; Ligand: FMN; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAD 0.543307 0.876543
5 FAS 0.543307 0.876543
6 FAE 0.539062 0.865854
7 LFN 0.475 0.643836
8 C3F 0.473684 0.74359
9 CF4 0.463918 0.734177
10 FAY 0.446043 0.864198
11 FNR 0.444444 0.909091
12 RFL 0.442857 0.845238
13 4LS 0.411215 0.875
14 1VY 0.406593 0.769231
15 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1AL8; Ligand: FMN; Similar sites found with APoc: 170
This union binding pocket(no: 1) in the query (biounit: 1al8.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 1JCM 137 None
2 5FUI APY 1.51515
3 3W9Z FMN 1.86335
4 4NZ6 DLY 1.91693
5 3ATY FMN 1.94986
6 1FDJ 13P 1.94986
7 1FDJ 2FP 1.94986
8 3DG6 MUC 1.94986
9 1SW0 PGA 2.01613
10 3H22 B53 2.0202
11 1VHN FMN 2.20126
12 2GOU FMN 2.22841
13 6C4A PYR 2.22841
14 6AYU MLI 2.30548
15 1Q6O LG6 2.31481
16 2BTM PGA 2.38095
17 1VYP TNF 2.50696
18 1VYP FMN 2.50696
19 1ICP FMN 2.50696
20 1PS9 FMN 2.50696
21 3TY3 GGG 2.50696
22 2OEM 1AE 2.50696
23 1OF8 PEP 2.50696
24 4JIQ 1L5 2.78552
25 4JIQ FMN 2.78552
26 4QNW FMN 2.78552
27 1DJN FMN 2.78552
28 2YPI PGA 2.83401
29 3HF3 FMN 2.86533
30 2JE7 XMM 2.92887
31 2WD7 VGD 2.98507
32 2Q3O FMN 3.06407
33 2PUZ NIG 3.06407
34 3VKX T3 3.06407
35 4XP7 FNR 3.17919
36 4YMZ 13P 3.18725
37 1O68 KIV 3.27273
38 2FJK 13P 3.27869
39 4CUB GAL NAG 3.27869
40 1GXU 2HP 3.2967
41 2Q3R FMN 3.34262
42 2H8Z 8CM 3.34262
43 2H8Z FMN 3.34262
44 3K5I AIR 3.34262
45 5C9P FUC 3.34262
46 4A3U FMN 3.35196
47 2W5P CL8 3.3557
48 1APZ ASP 3.5461
49 1O5Q PYR 3.60656
50 5E9G GLV 3.62117
51 1WD4 AHR 3.62117
52 3B0P FMN 3.71429
53 4HKP 16B 3.84615
54 4HKP TKW 3.84615
55 1EWK GLU 3.87755
56 2ZUX RAM 3.89972
57 4EWN 0VR 3.95257
58 3BW2 FMN 4.06504
59 3EXS 5RP 4.0724
60 6BVE PGA 4.08163
61 5OCS FMN 4.17827
62 6BKA FMN 4.17827
63 1OFD AKG 4.17827
64 1OFD FMN 4.17827
65 6DW2 HD4 4.21941
66 1U3G ADP 4.2328
67 3IWD M2T 4.41176
68 1OX5 1PR 4.45682
69 5KXE 6Y2 4.52675
70 4M5P FMN 4.73538
71 4CW5 FMN 4.73538
72 4UIN QI9 4.73538
73 4NAE 1GP 4.88889
74 2HSA FMN 5.01393
75 2CFC KPC 5.01393
76 1PVN MZP 5.01393
77 2F6U CIT 5.12821
78 3TAO PGH 5.24345
79 1VKF CIT 5.31915
80 3UWV 2PG 5.36398
81 2FLI DX5 5.45455
82 1IGW PYR 5.57103
83 1Z44 FMN 5.6213
84 1Z48 FMN 5.6213
85 1Z42 FMN 5.6213
86 1Z41 FMN 5.6213
87 3NZ1 3NY 5.74713
88 3KRU FMN 5.84958
89 3FYP PEP 6.07143
90 4JEJ 1GP 6.14754
91 2Z6J FMN 6.3253
92 2Z6I FMN 6.3253
93 3AKI AH8 6.40669
94 4UP5 94W 6.40669
95 3GLC R5P 6.40669
96 1O0S NAI 6.40669
97 1EIX BMQ 6.53061
98 2Y88 2ER 6.55738
99 1M5W DXP 6.58436
100 5GVH FMN 6.6879
101 2C3W GLC GLC GLC GLC 6.86275
102 4I9A NCN 6.94444
103 1KKR 2AS 6.96379
104 3QTP 2PG 6.96379
105 5F90 LMR 7.05128
106 5A5W GUO 7.11462
107 1TRD PGH 7.2
108 1OYB HBA 7.24234
109 1OYB FMN 7.24234
110 2R14 FMN 7.24234
111 2R14 TXD 7.24234
112 1LYX PGA 7.25806
113 4BI7 PGA 7.393
114 2C6Q NDP 7.40741
115 4Z1D PEP 7.6087
116 3QH2 3NM 7.69231
117 2V7Q ADP 7.79944
118 3W9F I3P 8.07692
119 3CL5 SIO 8.07799
120 5UXM PEP 8.07799
121 4TMC HBA 8.6351
122 4TMC FMN 8.6351
123 5XFV FMN 8.68263
124 5TCI MLI 8.69565
125 4IGH 1EA 9.1922
126 4IGH FMN 9.1922
127 4IGH ORO 9.1922
128 4N14 WR7 9.47075
129 1QDS PGA 9.56175
130 1UJP CIT 9.5941
131 1OVD ORO 9.6463
132 1OVD FMN 9.6463
133 4Q4K FMN 9.80392
134 5J5R 6G1 10.0279
135 5J5R IMP 10.0279
136 4UTU LRY 10.0437
137 4UTW RFW 10.0437
138 4ORM FMN 10.585
139 4ORM 2V6 10.585
140 4ORM ORO 10.585
141 1TV5 FMN 10.585
142 3BLI PYR 10.585
143 2ZRU FMN 10.8635
144 2GJN NIS 10.9756
145 2GJN FMN 10.9756
146 3C3N FMN 11.2179
147 5EYW PGA 11.245
148 3OIX FMN 11.3043
149 1M3U KPL 11.3636
150 1EP2 FMN 11.4943
151 1EP2 ORO 11.4943
152 2XN2 GLA 11.6992
153 5CSS G3P 12.3894
154 5AHN IMP 12.8834
155 1UUO FMN 14.4847
156 1UUO ORO 14.4847
157 1UUO BRF 14.4847
158 4Z87 5GP 14.4847
159 4Z0G 5GP 14.4847
160 1HFE CYS 14.6341
161 4WZH FMN 15.5989
162 5AHM IMP 15.75
163 3MJY IJZ 15.896
164 3MJY FMN 15.896
165 4D00 SIA GAL NAG 16.3934
166 4N02 FNR 17.6471
167 1F76 FMN 17.8571
168 1GTE IUR 19.4986
169 1GTE FMN 19.4986
170 1ME8 RVP 26.4624
Pocket No.: 2; Query (leader) PDB : 1AL8; Ligand: FMN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1al8.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1AL8; Ligand: FMN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1al8.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1AL8; Ligand: FMN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1al8.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1AL8; Ligand: DHP; Similar sites found with APoc: 167
This union binding pocket(no: 5) in the query (biounit: 1al8.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 5NNT DPV None
2 1JCM 137 None
3 4CP8 MLI 1.39276
4 5FUI APY 1.51515
5 4C1K PEP 1.52672
6 3O01 DXC 1.62338
7 3W9Z FMN 1.86335
8 3ATY FMN 1.94986
9 1FDJ 13P 1.94986
10 1FDJ 2FP 1.94986
11 3DG6 MUC 1.94986
12 5LX9 OLB 1.9544
13 1SW0 PGA 2.01613
14 1VHN FMN 2.20126
15 2GOU FMN 2.22841
16 6AYU MLI 2.30548
17 1Q6O LG6 2.31481
18 2BTM PGA 2.38095
19 1ICP FMN 2.50696
20 1PS9 FMN 2.50696
21 1VYP TNF 2.50696
22 1VYP FMN 2.50696
23 2OEM 1AE 2.50696
24 4V3I ASP LEU THR ARG PRO 2.72374
25 3BMN AX3 2.77778
26 4JIQ FMN 2.78552
27 4JIQ 1L5 2.78552
28 4QNW FMN 2.78552
29 1SR9 KIV 2.78552
30 1DJN FMN 2.78552
31 2YPI PGA 2.83401
32 3HF3 FMN 2.86533
33 2JE7 XMM 2.92887
34 2Q3O FMN 3.06407
35 1SZ0 M6P 3.06407
36 3VKX T3 3.06407
37 4XP7 FNR 3.17919
38 4YMZ 13P 3.18725
39 2FJK 13P 3.27869
40 1GXU 2HP 3.2967
41 2Q3R FMN 3.34262
42 2H8Z FMN 3.34262
43 2H8Z 8CM 3.34262
44 3K5I AIR 3.34262
45 5C9P FUC 3.34262
46 4A3U FMN 3.35196
47 2W5P CL8 3.3557
48 3FJG 3PG 3.58566
49 5E9G GLV 3.62117
50 6CGN DA 3.62117
51 3B0P FMN 3.71429
52 4HKP 16B 3.84615
53 4EWN 0VR 3.95257
54 5C79 PBU 4
55 3BW2 FMN 4.06504
56 3EXS 5RP 4.0724
57 6BVE PGA 4.08163
58 5OCS FMN 4.17827
59 6BKA FMN 4.17827
60 1OFD AKG 4.17827
61 1OFD FMN 4.17827
62 5MZI FYK 4.17827
63 6DW2 HD4 4.21941
64 1U3G ADP 4.2328
65 3IWD M2T 4.41176
66 1OX5 1PR 4.45682
67 5KXE 6Y2 4.52675
68 4RJD TFP 4.54545
69 4M5P FMN 4.73538
70 4CW5 FMN 4.73538
71 4G8R 96P 4.73538
72 5IM3 DTP 4.73538
73 4NAE 1GP 4.88889
74 2HSA FMN 5.01393
75 2F6U CIT 5.12821
76 3TAO PGH 5.24345
77 1VKF CIT 5.31915
78 2FLI DX5 5.45455
79 1HBK COA 5.61798
80 1Z44 FMN 5.6213
81 1Z48 FMN 5.6213
82 1Z42 FMN 5.6213
83 1Z41 FMN 5.6213
84 3NZ1 3NY 5.74713
85 3KRU FMN 5.84958
86 3FYP PEP 6.07143
87 4JEJ 1GP 6.14754
88 1GEG GLC 6.25
89 2JFN GLU 6.31579
90 2Z6J FMN 6.3253
91 2Z6I FMN 6.3253
92 4UP5 94W 6.40669
93 3GLC R5P 6.40669
94 5LOL GSH 6.51163
95 1EIX BMQ 6.53061
96 1M5W DXP 6.58436
97 5GVH FMN 6.6879
98 3LMS GLY 6.75676
99 4I9A NCN 6.94444
100 5ZZO FLC 6.96517
101 5F90 LMR 7.05128
102 1TRD PGH 7.2
103 2R14 FMN 7.24234
104 2R14 TXD 7.24234
105 1OYB HBA 7.24234
106 1OYB FMN 7.24234
107 1LYX PGA 7.25806
108 4BI7 PGA 7.393
109 5FQK 6NT 7.43494
110 3QH2 3NM 7.69231
111 4NDN PPK 7.79944
112 3CL5 SIO 8.07799
113 5UXM PEP 8.07799
114 5OLK DTP 8.35655
115 4TMC HBA 8.6351
116 4TMC FMN 8.6351
117 5XFV FMN 8.68263
118 5TCI MLI 8.69565
119 3F8C HT1 8.73016
120 4IGH ORO 9.1922
121 4IGH FMN 9.1922
122 4IGH 1EA 9.1922
123 5Y02 HBX 9.34579
124 4N14 WR7 9.47075
125 1QDS PGA 9.56175
126 1UJP CIT 9.5941
127 1OVD ORO 9.6463
128 1OVD FMN 9.6463
129 4Q4K FMN 9.80392
130 4UTU LRY 10.0437
131 4UTW RFW 10.0437
132 5Z84 CHD 10.2041
133 5ZCO CHD 10.2041
134 4ORM ORO 10.585
135 4ORM 2V6 10.585
136 4ORM FMN 10.585
137 1TV5 FMN 10.585
138 3BLI PYR 10.585
139 2ZRU FMN 10.8635
140 2GJN NIS 10.9756
141 2GJN FMN 10.9756
142 2PP3 LGT 11.1421
143 3C3N FMN 11.2179
144 5EYW PGA 11.245
145 3OIX FMN 11.3043
146 1EP2 FMN 11.4943
147 1EP2 ORO 11.4943
148 2XN2 GLA 11.6992
149 1NU4 MLA 12.3711
150 5CSS G3P 12.3894
151 2Y69 CHD 12.5
152 5AHN IMP 12.8834
153 3KO0 TFP 13.8614
154 4AF0 IMP 14.2061
155 1UUO BRF 14.4847
156 1UUO ORO 14.4847
157 1UUO FMN 14.4847
158 1W8S FBP 14.8289
159 4WZH FMN 15.5989
160 5AHM IMP 15.75
161 3MJY IJZ 15.896
162 3MJY FMN 15.896
163 4N02 FNR 17.6471
164 1F76 FMN 17.8571
165 1GTE IUR 19.4986
166 1GTE FMN 19.4986
167 4IXH IMP 20.3343
Pocket No.: 6; Query (leader) PDB : 1AL8; Ligand: DHP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1al8.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1AL8; Ligand: DHP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1al8.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1AL8; Ligand: DHP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1al8.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback