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Receptor
PDB id Resolution Class Description Source Keywords
1BWK 2.3 Å EC: 1.6.99.1 OLD YELLOW ENZYME (OYE1) MUTANT H191N CANDIDA ALBICANS FLAVOENZYME NADPH OXIDOREDUCTASE TIM BARREL
Ref.: ON THE ACTIVE SITE OF OLD YELLOW ENZYME. ROLE OF HISTIDINE 191 AND ASPARAGINE 194. J.BIOL.CHEM. V. 273 32753 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:401;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OYB 2 Å EC: 1.6.99.1 OLD YELLOW ENZYME AT 2 ANGSTROMS RESOLUTION: OVERALL STRUCTURE, LIGAND BINDING AND COMPARISON WITH RELATED F LAVOPROTEINS SACCHAROMYCES PASTORIANUS OXIDOREDUCTASE(FLAVOPROTEIN)
Ref.: OLD YELLOW ENZYME AT 2 A RESOLUTION: OVERALL STRUCTURE, LIGAND BINDING, AND COMPARISON WITH RELATED FLAVOPROTEINS. STRUCTURE V. 2 1089 1994
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1OYB - HBA C7 H6 O2 c1cc(ccc1C....
2 1OYC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1BWK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1OYA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 1OYB - HBA C7 H6 O2 c1cc(ccc1C....
2 1OYC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1BWK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1OYA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 4TMB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 4TMC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 4RNV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 4RNW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (63)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1H60 Kd = 20 uM STR C21 H30 O2 CC(=O)[C@H....
2 3P7Y - P7Y C8 H7 N O3 c1ccc(c(c1....
3 1H50 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 3P67 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 3KFT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 1VYP Kd = 0.07 uM TNF C6 H3 N3 O7 c1c(cc(c(c....
7 3P74 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1GVQ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 5LGX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 2ABA Kd = 0.7 uM STR C21 H30 O2 CC(=O)[C@H....
11 1VYS Kd = 0.24 uM TNF C6 H3 N3 O7 c1c(cc(c(c....
12 1GVO - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 3P81 - P81 C8 H7 N O3 c1cc(ccc1/....
14 5LGZ - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
15 3P62 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 3P82 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 1GVR - TNL C7 H5 N3 O6 Cc1c(cc(cc....
18 1H63 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 1H62 Kd = 17 uM ANB C19 H24 O2 C[C@]12CC[....
20 1GVS - TNF C6 H3 N3 O7 c1c(cc(c(c....
21 1H61 Kd = 13 uM PDN C21 H26 O5 C[C@]12CC(....
22 3P80 - P80 C8 H7 N O3 c1cc(cc(c1....
23 2ABB - IPA C3 H8 O CC(C)O
24 1VYR Kd = 5.4 uM TNF C6 H3 N3 O7 c1c(cc(c(c....
25 1H51 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
26 2GQ9 - HBA C7 H6 O2 c1cc(ccc1C....
27 2GQ8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
28 2GOU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
29 2GQA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
30 2HS8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
31 2HS6 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
32 3HGO - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
33 2HSA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
34 3HGS - PHB C7 H6 O3 c1cc(ccc1C....
35 1OYB - HBA C7 H6 O2 c1cc(ccc1C....
36 1OYC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
37 1BWK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
38 1OYA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
39 4M5P - MLA C3 H4 O4 C(C(=O)O)C....
40 4TMB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
41 4TMC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
42 1ICS - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
43 3HGR - PHB C7 H6 O3 c1cc(ccc1C....
44 1ICP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
45 1ICQ - OPD C18 H28 O3 CCC=CC[C@@....
46 3ATY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
47 3ATZ - HBA C7 H6 O2 c1cc(ccc1C....
48 1Q45 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
49 2Q3O - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50 2R14 Kd = 0.63 mM TXD C21 H31 N7 O14 P2 c1nc(c2c(n....
51 3GX9 - TXD C21 H31 N7 O14 P2 c1nc(c2c(n....
52 1GWJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
53 1VJI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
54 2Q3R - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
55 4JIQ Kd = 0.73 mM 1L5 C9 H9 N O2 C/C(=CN(=O....
56 4JIP - HBA C7 H6 O2 c1cc(ccc1C....
57 4JIC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
58 5N6G - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
59 4QNW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
60 4RNX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
61 4RNV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
62 4RNW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
63 4A3U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; 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 : 1OYB; Ligand: HBA; Similar sites found with APoc: 163
This union binding pocket(no: 1) in the query (biounit: 1oyb.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 2CHN NGT 1.25
2 1F76 FMN 1.4881
3 2XSB GDL 1.75
4 5O0J GLC 1.75
5 2Z6I FMN 1.80723
6 1VHN FMN 1.88679
7 5EYW PGA 2.00803
8 4ZNO SUC 2.08955
9 3AKK ADP 2.15385
10 2ZRU FMN 2.17391
11 1OVD ORO 2.2508
12 1OVD FMN 2.2508
13 4IGH FMN 2.41935
14 4IGH ORO 2.41935
15 4IGH 1EA 2.41935
16 2YPI PGA 2.42915
17 4I9A NCN 2.43056
18 3VKC FPQ 2.44755
19 2Z9I GLY ALA THR VAL 2.46914
20 1TV5 FMN 2.5
21 4NAE 1GP 2.66667
22 5XFV FMN 2.69461
23 4PL9 ADP 2.73224
24 4CW5 FMN 2.75
25 1OFD AKG 2.75
26 1OFD FMN 2.75
27 3OGV PTQ 2.75
28 3FIU POP 2.81124
29 1LYX PGA 2.82258
30 4WZH FMN 2.88184
31 2NLI FMN 2.98913
32 2NLI LAC 2.98913
33 3W9Z FMN 3
34 5KOH HCA 3
35 1UA4 GLC 3
36 1UA4 BGC 3
37 5A5W GUO 3.16206
38 3EXS 5RP 3.16742
39 3MJY IJZ 3.17919
40 3MJY FMN 3.17919
41 3C3N FMN 3.20513
42 1Q6O LG6 3.24074
43 2Z6J FMN 3.25
44 6DIO CIT 3.25
45 4XCZ T3Q 3.25
46 2QCD U5P 3.25
47 1O68 KIV 3.27273
48 1FDJ 13P 3.30579
49 4K10 NI9 3.31492
50 3I6B KDO 3.33333
51 3NIP 16D 3.37423
52 4XP7 FNR 3.46821
53 4D52 GXL 3.49206
54 4ORM ORO 3.5
55 4ORM 2V6 3.5
56 4ORM FMN 3.5
57 4RLQ 3SK 3.5
58 1TRD PGH 3.6
59 2RDT FMN 3.61757
60 2RDT 2RD 3.61757
61 3QH2 3NM 3.61991
62 3B0P FMN 3.71429
63 3TAO PGH 3.74532
64 4RI1 ACO 3.76344
65 6DVH FMN 3.80711
66 4UTU LRY 3.93013
67 4UTW RFW 3.93013
68 4YMZ 13P 3.98406
69 1QDS PGA 3.98406
70 6BKA FMN 4
71 1TZD ADP 4
72 4W6Z ETF 4.03458
73 4HKP 16B 4.16667
74 1M3U KPL 4.16667
75 1Y75 NAG 4.23729
76 5AHN IMP 4.25
77 1VKF CIT 4.25532
78 1N13 AG2 4.42478
79 6BVE PGA 4.4898
80 1GZ4 FUM 4.5
81 3ODU ITD 4.5
82 1EP2 FMN 4.5977
83 1EP2 ORO 4.5977
84 3QMN A3P 4.65116
85 4A91 GLU 4.69799
86 4RF7 ARG 4.75
87 3PD6 PMP 4.75
88 3VOZ 04A 4.7619
89 5CSS G3P 4.86726
90 1DQX BMP 4.86891
91 5LUB 3Y7 4.96183
92 1CHM CMS 5
93 5O2D 9HH 5
94 4N02 FNR 5.04202
95 1UUO BRF 5.10753
96 1UUO FMN 5.10753
97 1UUO ORO 5.10753
98 3BW2 FMN 5.14905
99 2GJN FMN 5.18293
100 2GJN NIS 5.18293
101 5GVH FMN 5.25
102 1OX5 1PR 5.25
103 2V6A CAP 5.25
104 2V67 CAP 5.25
105 2V68 CAP 5.25
106 1UZD CAP 5.25
107 1IR2 CAP 5.25
108 2V63 CAP 5.25
109 2VDH CAP 5.25
110 1RZM E4P 5.32544
111 3NZ1 3NY 5.36398
112 4BI7 PGA 5.44747
113 2BP1 FLC 5.5
114 5JZJ AN2 5.72391
115 1SW0 PGA 6.04839
116 1WDD CAP 6.07966
117 5TCI MLI 6.75
118 6BFG FMN 6.76692
119 2FLI DX5 6.81818
120 3OIX FMN 7
121 1TB3 FMN 7.10227
122 1P4C FMN 7.10526
123 1AL8 FMN 7.24234
124 1AL8 DHP 7.24234
125 3K7S R52 7.26257
126 1OYF MHN 7.43802
127 1GTE IUR 7.5
128 1GTE FMN 7.5
129 2FPU HSO 7.95455
130 5K6A 6QT 8
131 5JDC 6JP 8
132 3BMO AX4 8
133 4CM8 IZ9 8
134 3BMQ AX5 8
135 2F6U CIT 8.11966
136 2BES RES 8.13953
137 5YRF GLC GLC 9.15493
138 4JEJ 1GP 9.42623
139 5N9Z CAP 10.0719
140 1UZH CAP 10.6557
141 2QQC AG2 10.7143
142 2NU5 NAG 11.4754
143 2NUO BGC 11.4754
144 2HYQ MAN MAN 11.4754
145 2GUD MAN 11.4754
146 2GUC MAN 11.4754
147 1KBJ FMN 11.5
148 1KBI PYR 11.5
149 1KBI FMN 11.5
150 2BTM PGA 12.3016
151 2ATJ BHO 14.2857
152 3P7G MAN 14.3836
153 2X1L MET 14.75
154 4Q4K FMN 15.75
155 5UPK ANP 18.75
156 1PS9 FMN 30.75
157 1Z42 FMN 32.8402
158 1Z44 FMN 32.8402
159 1Z48 FMN 32.8402
160 1Z41 FMN 32.8402
161 1Z44 NPO 32.8402
162 6FLZ MMA 36.8056
163 1DJN FMN 40
Pocket No.: 2; Query (leader) PDB : 1OYB; Ligand: HBA; 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: 1oyb.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1OYB; Ligand: FMN; Similar sites found with APoc: 147
This union binding pocket(no: 3) in the query (biounit: 1oyb.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 2CHN NGT 1.25
2 1F76 FMN 1.4881
3 2FAH MLA 1.5
4 2XSB GDL 1.75
5 2Z6I FMN 1.80723
6 1VHN FMN 1.88679
7 5UN9 NHT 2
8 5EYW PGA 2.00803
9 1LTZ HBI 2.0202
10 4ZNO SUC 2.08955
11 2ZRU FMN 2.17391
12 1OVD ORO 2.2508
13 1OVD FMN 2.2508
14 4IGH 1EA 2.41935
15 4IGH ORO 2.41935
16 4IGH FMN 2.41935
17 2YPI PGA 2.42915
18 4I9A NCN 2.43056
19 3VKC FPQ 2.44755
20 2Z9I GLY ALA THR VAL 2.46914
21 1TV5 FMN 2.5
22 4NAE 1GP 2.66667
23 5XFV FMN 2.69461
24 4CW5 FMN 2.75
25 1OFD AKG 2.75
26 1OFD FMN 2.75
27 1LYX PGA 2.82258
28 2WW4 ADP 2.82686
29 4WZH FMN 2.88184
30 2NLI FMN 2.98913
31 2NLI LAC 2.98913
32 3W9Z FMN 3
33 5KOH HCA 3
34 3EXS 5RP 3.16742
35 3MJY IJZ 3.17919
36 3MJY FMN 3.17919
37 3C3N FMN 3.20513
38 1Q6O LG6 3.24074
39 2Z6J FMN 3.25
40 6DIO CIT 3.25
41 2QCD U5P 3.25
42 4Z1D PEP 3.26087
43 1O68 KIV 3.27273
44 1FDJ 13P 3.30579
45 4XP7 FNR 3.46821
46 4D52 GXL 3.49206
47 4ORM ORO 3.5
48 4ORM 2V6 3.5
49 4ORM FMN 3.5
50 4RLQ 3SK 3.5
51 1TRD PGH 3.6
52 2RDT FMN 3.61757
53 2RDT 2RD 3.61757
54 3QH2 3NM 3.61991
55 3B0P FMN 3.71429
56 3TAO PGH 3.74532
57 4PU6 ASP 3.75
58 6DVH FMN 3.80711
59 4UTU LRY 3.93013
60 4UTW RFW 3.93013
61 4YMZ 13P 3.98406
62 1QDS PGA 3.98406
63 6BKA FMN 4
64 4HKP 16B 4.16667
65 1M3U KPL 4.16667
66 1Y75 NAG 4.23729
67 5AHN IMP 4.25
68 1VKF CIT 4.25532
69 1N13 AG2 4.42478
70 6BVE PGA 4.4898
71 1EP2 FMN 4.5977
72 1EP2 ORO 4.5977
73 3QMN A3P 4.65116
74 4RF7 ARG 4.75
75 3PD6 PMP 4.75
76 3VOZ 04A 4.7619
77 5CSS G3P 4.86726
78 1DQX BMP 4.86891
79 4N02 FNR 5.04202
80 1UUO BRF 5.10753
81 1UUO ORO 5.10753
82 1UUO FMN 5.10753
83 3BW2 FMN 5.14905
84 2GJN FMN 5.18293
85 2GJN NIS 5.18293
86 5GVH FMN 5.25
87 2V6A CAP 5.25
88 2V67 CAP 5.25
89 2V68 CAP 5.25
90 1UZD CAP 5.25
91 1OX5 1PR 5.25
92 1IR2 CAP 5.25
93 6FTB M0E 5.25
94 2V63 CAP 5.25
95 2VDH CAP 5.25
96 1RZM E4P 5.32544
97 3NZ1 3NY 5.36398
98 4BI7 PGA 5.44747
99 4TVD BGC 5.75
100 1PVN MZP 5.85106
101 1SW0 PGA 6.04839
102 1WDD CAP 6.07966
103 2C6Q NDP 6.25
104 5TCI MLI 6.75
105 6BFG FMN 6.76692
106 2FLI DX5 6.81818
107 3OIX FMN 7
108 1TB3 FMN 7.10227
109 1P4C FMN 7.10526
110 1AL8 FMN 7.24234
111 1AL8 DHP 7.24234
112 1XK5 TPG 7.35294
113 1OYF MHN 7.43802
114 1GTE IUR 7.5
115 1GTE FMN 7.5
116 1TIQ COA 7.77778
117 3JQ7 DX2 8
118 5JCJ 6JM 8
119 2F6U CIT 8.11966
120 2BES RES 8.13953
121 5YRF GLC GLC 9.15493
122 4JEJ 1GP 9.42623
123 5N9Z CAP 10.0719
124 1UZH CAP 10.6557
125 2QQC AG2 10.7143
126 2NU5 NAG 11.4754
127 2NUO BGC 11.4754
128 2HYQ MAN MAN 11.4754
129 2GUD MAN 11.4754
130 2GUC MAN 11.4754
131 1KBJ FMN 11.5
132 1KBI FMN 11.5
133 1KBI PYR 11.5
134 2BTM PGA 12.3016
135 4BKS X6C 12.3711
136 5YRL GLC GLC 12.6761
137 2ATJ BHO 14.2857
138 2X1L MET 14.75
139 4Q4K FMN 15.75
140 5UPK ANP 18.75
141 1PS9 FMN 30.75
142 1Z42 FMN 32.8402
143 1Z44 FMN 32.8402
144 1Z48 FMN 32.8402
145 1Z41 FMN 32.8402
146 6FLZ MMA 36.8056
147 1DJN FMN 40
Pocket No.: 4; Query (leader) PDB : 1OYB; 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: 1oyb.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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