-->
Receptor
PDB id Resolution Class Description Source Keywords
1FCB 2.4 Å EC: 1.1.2.3 MOLECULAR STRUCTURE OF FLAVOCYTOCHROME B2 AT 2.4 ANGSTROMS R SACCHAROMYCES CEREVISIAE OXIDOREDUCTASE (CH-OH(D)-CYTOCHROME(A))
Ref.: MOLECULAR STRUCTURE OF FLAVOCYTOCHROME B2 AT 2.4 A RESOLUTION. J.MOL.BIOL. V. 212 837 1990
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:570;
B:570;
Valid;
Valid;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
HEM A:560;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
PYR B:580;
Valid;
none;
submit data
88.062 C3 H4 O3 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1KBI 2.3 Å EC: 1.1.2.3 CRYSTALLOGRAPHIC STUDY OF THE RECOMBINANT FLAVIN-BINDING DOM BAKER'S YEAST FLAVOCYTOCHROME B2: COMPARISON WITH THE INTACT YPE ENZYME SACCHAROMYCES CEREVISIAE FLAVOCYTOCHROME B2 ELECTRON TRANSFER OXIDOREDUCTASE
Ref.: CRYSTALLOGRAPHIC STUDY OF THE RECOMBINANT FLAVIN-BI DOMAIN OF BAKER'S YEAST FLAVOCYTOCHROME B(2): COMPA WITH THE INTACT WILD-TYPE ENZYME. BIOCHEMISTRY V. 41 4264 2002
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1KBI - PYR C3 H4 O3 CC(=O)C(=O....
2 1FCB - PYR C3 H4 O3 CC(=O)C(=O....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1KBI - PYR C3 H4 O3 CC(=O)C(=O....
2 1FCB - PYR C3 H4 O3 CC(=O)C(=O....
3 1KBJ - 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: 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
Ligand no: 2; Ligand: PYR; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 PYR 1 1
2 ACY 0.636364 0.636364
3 OXD 0.545455 0.642857
4 F50 0.428571 0.6
5 2KT 0.411765 0.733333
6 AAE 0.411765 0.625
7 KIV 0.411765 0.785714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1KBI; Ligand: PYR; Similar sites found with APoc: 189
This union binding pocket(no: 1) in the query (biounit: 1kbi.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 5BVA FAD 1.71149
2 1OX5 1PR 1.76125
3 2R14 TXD 1.85676
4 2R14 FMN 1.85676
5 6BKA FMN 1.87166
6 4M5P FMN 1.9656
7 4XP7 FNR 2.02312
8 4TQK NAG 2.21675
9 3TAO PGH 2.24719
10 6H45 QEI 2.29592
11 3KRU FMN 2.33236
12 3CQ5 PMP 2.43902
13 1ZGS XMM 2.46085
14 4WCX ALA 2.5
15 5E9G GLV 2.54403
16 2Q3O FMN 2.55754
17 3QH2 3NM 2.71493
18 4AF0 IMP 2.73973
19 2H8Z FMN 2.78552
20 2H8Z 8CM 2.78552
21 2I4O ATP 2.83843
22 3HF3 FMN 2.86533
23 1O0S NAI 2.93542
24 4Z87 5GP 2.93542
25 2YVK MRU 2.94118
26 1O5Q PYR 2.95082
27 5UN9 NHT 2.97619
28 6BE0 COA 2.98013
29 4LEB THR THR THR THR THR THR THR 3
30 1FDJ 2FP 3.0303
31 1FDJ 13P 3.0303
32 5L9G MO0 3.1339
33 4C2C ALA ALA ALA 3.13901
34 5C9P FUC 3.14961
35 1VKF CIT 3.19149
36 4RW3 IPD 3.31126
37 1DQX BMP 3.37079
38 5ENZ UDP 3.37662
39 3NZ1 3NY 3.44828
40 5AHN IMP 3.47648
41 2Q3R FMN 3.49462
42 3U6W KIV 3.51288
43 1SR9 KIV 3.5225
44 1GTE IUR 3.5225
45 1GTE FMN 3.5225
46 4YMZ 13P 3.58566
47 5EYW PGA 3.61446
48 1KKR 2AS 3.63196
49 3ATY FMN 3.69393
50 3CL5 SIO 3.71353
51 5OCS FMN 3.77358
52 3DG6 MUC 3.81471
53 1YRB GDP 3.81679
54 4N14 WR7 3.82166
55 3UWV 2PG 3.83142
56 1JCM 137 3.861
57 1DJN FMN 3.91389
58 4JIQ FMN 3.97878
59 4JIQ 1L5 3.97878
60 5TCI MLI 3.98551
61 4UP5 94W 4.0404
62 4L9Z OXL 4.12979
63 1WD4 AHR 4.14938
64 1M3U KPL 4.16667
65 5AHM IMP 4.25
66 3W9Z FMN 4.34783
67 5NDB 8TW 4.4
68 1PS9 FMN 4.50098
69 3QTP 2PG 4.53515
70 4WZH FMN 4.61095
71 3MJY IJZ 4.62428
72 3MJY FMN 4.62428
73 4IXH IMP 4.70914
74 4A3U FMN 4.7486
75 3NX2 FER 4.7619
76 4OPC PGT 4.85651
77 4OPC FDA 4.85651
78 4D00 SIA GAL NAG 4.91803
79 3OIX FMN 4.92754
80 4BI7 PGA 5.05837
81 1P4V GLY 5.08475
82 5GVH FMN 5.09554
83 4HKP 16B 5.12821
84 4HKP TKW 5.12821
85 4CW5 FMN 5.28634
86 4NAE 1GP 5.33333
87 3B0P FMN 5.42857
88 3C3N FMN 5.44872
89 1LK7 DER 5.67686
90 3OVR 5SP 5.70175
91 1OVD ORO 5.78778
92 1OVD FMN 5.78778
93 2FJK 13P 5.90164
94 1QPR PPC 5.98592
95 5XFV FMN 5.98802
96 2Z6I FMN 6.0241
97 4IP7 FLC 6.06654
98 4QNW FMN 6.12245
99 6BVE PGA 6.12245
100 2QCD U5P 6.15385
101 1F76 FMN 6.25
102 2XN2 GLA 6.26223
103 1VYP TNF 6.31868
104 1VYP FMN 6.31868
105 2Z6J FMN 6.3253
106 3EXS 5RP 6.33484
107 1UKG MMA 6.34921
108 2VEG PMM 6.36943
109 1W3T 3GR 6.46258
110 2HSA FMN 6.46766
111 1O68 KIV 6.54545
112 2GOU FMN 6.57534
113 1M5W DXP 6.58436
114 1ICP FMN 6.64894
115 1OFD AKG 6.65362
116 1OFD FMN 6.65362
117 3TW1 AHN 6.75105
118 1SJD NPG 6.79348
119 3CM2 X23 6.92308
120 1TV5 FMN 6.99774
121 2GJN NIS 7.0122
122 2GJN FMN 7.0122
123 3FYP PEP 7.14286
124 4Q4K FMN 7.28291
125 4I9A NCN 7.29167
126 3W6X HZP 7.42358
127 1QDS PGA 7.56972
128 1YFS ALA 7.74194
129 2F6U CIT 8.11966
130 1F8Y 5MD 8.28025
131 5A5W GUO 8.3004
132 1EIX BMQ 8.57143
133 1TRD PGH 8.8
134 1SW0 PGA 8.87097
135 2YPI PGA 8.90688
136 6FLZ MMA 9.02778
137 4RLQ 3SK 9.19765
138 1DBT U5P 9.20502
139 2ZRU FMN 9.23913
140 1PVN MZP 9.30851
141 3BWR GAL NGA SIA GAL BGC 9.55882
142 4TMC HBA 9.92556
143 4TMC FMN 9.92556
144 1UJP CIT 9.9631
145 1Q6O LG6 10.6481
146 1VHN FMN 10.6918
147 3BW2 FMN 10.8401
148 5CIC 51R 11.1111
149 2YFO GLA 11.3503
150 2YFO GAL 11.3503
151 1OYB HBA 11.5
152 1OYB FMN 11.5
153 4UTU LRY 11.7904
154 4UTW RFW 11.7904
155 3BLI PYR 12.1662
156 5CSS G3P 12.3894
157 2FLI DX5 12.7273
158 4XMF HSM 13.0435
159 2IDO TMP 13.253
160 1UUO ORO 13.9785
161 1UUO BRF 13.9785
162 1UUO FMN 13.9785
163 4JEJ 1GP 14.7541
164 1Z48 FMN 14.7929
165 1Z41 FMN 14.7929
166 1Z44 FMN 14.7929
167 1Z42 FMN 14.7929
168 43CA NPO 15.3846
169 2WQ4 SFU 16.6667
170 1EP2 ORO 17.3633
171 1EP2 FMN 17.3633
172 4EWN 0VR 18.1818
173 1LYX PGA 18.5484
174 3GAY P6T 18.5759
175 4IGH ORO 19.8925
176 4IGH 1EA 19.8925
177 4IGH FMN 19.8925
178 4ORM ORO 21.4464
179 4ORM FMN 21.4464
180 4ORM 2V6 21.4464
181 2Y88 2ER 21.7213
182 2QQC AG2 22.6415
183 1N13 AG2 23.0769
184 1W8S FBP 23.1939
185 2BTM PGA 23.4127
186 3C56 PH4 25.0814
187 3GLC R5P 31.5254
188 4N02 FNR 36.6947
189 6DVH FMN 44.6701
Pocket No.: 2; Query (leader) PDB : 1KBI; Ligand: PYR; 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: 1kbi.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1KBI; Ligand: FMN; Similar sites found with APoc: 189
This union binding pocket(no: 3) in the query (biounit: 1kbi.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 5BVA FAD 1.71149
2 1OX5 1PR 1.76125
3 2R14 TXD 1.85676
4 2R14 FMN 1.85676
5 6BKA FMN 1.87166
6 4M5P FMN 1.9656
7 4XP7 FNR 2.02312
8 4TQK NAG 2.21675
9 3TAO PGH 2.24719
10 6H45 QEI 2.29592
11 3KRU FMN 2.33236
12 3CQ5 PMP 2.43902
13 1ZGS XMM 2.46085
14 4WCX ALA 2.5
15 5E9G GLV 2.54403
16 2Q3O FMN 2.55754
17 3QH2 3NM 2.71493
18 4AF0 IMP 2.73973
19 2H8Z FMN 2.78552
20 2H8Z 8CM 2.78552
21 2I4O ATP 2.83843
22 3HF3 FMN 2.86533
23 1O0S NAI 2.93542
24 4Z87 5GP 2.93542
25 2YVK MRU 2.94118
26 1O5Q PYR 2.95082
27 5UN9 NHT 2.97619
28 6BE0 COA 2.98013
29 4LEB THR THR THR THR THR THR THR 3
30 1FDJ 2FP 3.0303
31 1FDJ 13P 3.0303
32 5L9G MO0 3.1339
33 4C2C ALA ALA ALA 3.13901
34 5C9P FUC 3.14961
35 1VKF CIT 3.19149
36 4RW3 IPD 3.31126
37 1DQX BMP 3.37079
38 5ENZ UDP 3.37662
39 3NZ1 3NY 3.44828
40 5AHN IMP 3.47648
41 2Q3R FMN 3.49462
42 3U6W KIV 3.51288
43 1SR9 KIV 3.5225
44 1GTE IUR 3.5225
45 1GTE FMN 3.5225
46 4YMZ 13P 3.58566
47 5EYW PGA 3.61446
48 1KKR 2AS 3.63196
49 3ATY FMN 3.69393
50 3CL5 SIO 3.71353
51 5OCS FMN 3.77358
52 3DG6 MUC 3.81471
53 1YRB GDP 3.81679
54 4N14 WR7 3.82166
55 3UWV 2PG 3.83142
56 1JCM 137 3.861
57 1DJN FMN 3.91389
58 4JIQ FMN 3.97878
59 4JIQ 1L5 3.97878
60 5TCI MLI 3.98551
61 4UP5 94W 4.0404
62 4L9Z OXL 4.12979
63 1WD4 AHR 4.14938
64 1M3U KPL 4.16667
65 5AHM IMP 4.25
66 3W9Z FMN 4.34783
67 5NDB 8TW 4.4
68 1PS9 FMN 4.50098
69 3QTP 2PG 4.53515
70 4WZH FMN 4.61095
71 3MJY IJZ 4.62428
72 3MJY FMN 4.62428
73 4IXH IMP 4.70914
74 4A3U FMN 4.7486
75 3NX2 FER 4.7619
76 4OPC PGT 4.85651
77 4OPC FDA 4.85651
78 4D00 SIA GAL NAG 4.91803
79 3OIX FMN 4.92754
80 4BI7 PGA 5.05837
81 1P4V GLY 5.08475
82 5GVH FMN 5.09554
83 4HKP 16B 5.12821
84 4HKP TKW 5.12821
85 4CW5 FMN 5.28634
86 4NAE 1GP 5.33333
87 3B0P FMN 5.42857
88 3C3N FMN 5.44872
89 1LK7 DER 5.67686
90 3OVR 5SP 5.70175
91 1OVD ORO 5.78778
92 1OVD FMN 5.78778
93 2FJK 13P 5.90164
94 1QPR PPC 5.98592
95 5XFV FMN 5.98802
96 2Z6I FMN 6.0241
97 4IP7 FLC 6.06654
98 4QNW FMN 6.12245
99 6BVE PGA 6.12245
100 2QCD U5P 6.15385
101 1F76 FMN 6.25
102 2XN2 GLA 6.26223
103 1VYP TNF 6.31868
104 1VYP FMN 6.31868
105 2Z6J FMN 6.3253
106 3EXS 5RP 6.33484
107 1UKG MMA 6.34921
108 2VEG PMM 6.36943
109 1W3T 3GR 6.46258
110 2HSA FMN 6.46766
111 1O68 KIV 6.54545
112 2GOU FMN 6.57534
113 1M5W DXP 6.58436
114 1ICP FMN 6.64894
115 1OFD AKG 6.65362
116 1OFD FMN 6.65362
117 3TW1 AHN 6.75105
118 1SJD NPG 6.79348
119 3CM2 X23 6.92308
120 1TV5 FMN 6.99774
121 2GJN NIS 7.0122
122 2GJN FMN 7.0122
123 3FYP PEP 7.14286
124 4Q4K FMN 7.28291
125 4I9A NCN 7.29167
126 3W6X HZP 7.42358
127 1QDS PGA 7.56972
128 1YFS ALA 7.74194
129 2F6U CIT 8.11966
130 1F8Y 5MD 8.28025
131 5A5W GUO 8.3004
132 1EIX BMQ 8.57143
133 1TRD PGH 8.8
134 1SW0 PGA 8.87097
135 2YPI PGA 8.90688
136 6FLZ MMA 9.02778
137 4RLQ 3SK 9.19765
138 1DBT U5P 9.20502
139 2ZRU FMN 9.23913
140 1PVN MZP 9.30851
141 3BWR GAL NGA SIA GAL BGC 9.55882
142 4TMC HBA 9.92556
143 4TMC FMN 9.92556
144 1UJP CIT 9.9631
145 1Q6O LG6 10.6481
146 1VHN FMN 10.6918
147 3BW2 FMN 10.8401
148 5CIC 51R 11.1111
149 2YFO GLA 11.3503
150 2YFO GAL 11.3503
151 1OYB HBA 11.5
152 1OYB FMN 11.5
153 4UTU LRY 11.7904
154 4UTW RFW 11.7904
155 3BLI PYR 12.1662
156 5CSS G3P 12.3894
157 2FLI DX5 12.7273
158 4XMF HSM 13.0435
159 2IDO TMP 13.253
160 1UUO ORO 13.9785
161 1UUO BRF 13.9785
162 1UUO FMN 13.9785
163 4JEJ 1GP 14.7541
164 1Z48 FMN 14.7929
165 1Z41 FMN 14.7929
166 1Z44 FMN 14.7929
167 1Z42 FMN 14.7929
168 43CA NPO 15.3846
169 2WQ4 SFU 16.6667
170 1EP2 ORO 17.3633
171 1EP2 FMN 17.3633
172 4EWN 0VR 18.1818
173 1LYX PGA 18.5484
174 3GAY P6T 18.5759
175 4IGH ORO 19.8925
176 4IGH 1EA 19.8925
177 4IGH FMN 19.8925
178 4ORM ORO 21.4464
179 4ORM FMN 21.4464
180 4ORM 2V6 21.4464
181 2Y88 2ER 21.7213
182 2QQC AG2 22.6415
183 1N13 AG2 23.0769
184 1W8S FBP 23.1939
185 2BTM PGA 23.4127
186 3C56 PH4 25.0814
187 3GLC R5P 31.5254
188 4N02 FNR 36.6947
189 6DVH FMN 44.6701
Pocket No.: 4; Query (leader) PDB : 1KBI; 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: 1kbi.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1KBI; Ligand: FMN; Similar sites found with APoc: 41
This union binding pocket(no: 5) in the query (biounit: 1kbi.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 3AKI AH8 1.7094
2 5A7V MAN 1.80412
3 5A7V BMA 1.80412
4 3ZUY TCH 1.85759
5 1EQ2 ADQ 2.25806
6 2X1L ADN 2.34834
7 5KXE 6Y2 2.88066
8 2H6T IVA VAL VAL STA ALA STA 2.94118
9 4PVR ASP 3.22581
10 1OF8 PEP 3.24324
11 1M7G AV2 3.31754
12 2HIM ASN 3.63128
13 4Z0G 5GP 3.63196
14 4C1K PEP 3.81679
15 5J5R IMP 3.85604
16 5J5R 6G1 3.85604
17 1B0U ATP 4.19847
18 2C6Q NDP 4.2735
19 6F5W KG1 4.60705
20 1SVI GDP 4.61538
21 2WPF FAD 4.64646
22 2WPF WPF 4.64646
23 3H22 B53 4.7138
24 4ZVV NAD 5.12048
25 4ZVV GN0 5.12048
26 3W5J GDP 5.39216
27 1SQL GUN 5.47945
28 1BZL GCG 5.55556
29 1Q8Q MAN MMA 6.34921
30 2PHX MAN MAN 6.34921
31 1DCP HBI 6.73077
32 1ME8 RVP 6.95825
33 6DW2 HD4 8.23529
34 5A1S FLC 8.48214
35 4OB0 PBC 9.04762
36 1JNR FAD 9.33333
37 1APZ ASP 9.87654
38 4KCT PYR 10.4208
39 5JDI 6JO 13.8889
40 2OMN IPH 14.7465
41 2VOH CIT 23.0769
Pocket No.: 6; Query (leader) PDB : 1KBI; 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: 6) in the query (biounit: 1kbi.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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