Receptor
PDB id Resolution Class Description Source Keywords
4KCF 2.1 Å EC: 1.-.-.- X-RAY STRUCTURE OF A KIJD3 IN COMPLEX WITH FMN AND DTDP-3-AM TRIDEOXY-4-KETO-3-METHYL-D-GLUCOSE ACTINOMADURA KIJANIATA KIJD3 FATTY ACYL-COA DEHYDROGENASE FAMILY KIJANOSE KIJANIFAD FLAVOPROTEIN OXIDOREDUCTASE CLASS D FLAVIN CONTAININMONOOXYGENASES N-OXYGENASE NUCLEOTIDE LINKED SUGAR DTDP-236-TRIDEOXY-4-KETO-3-METHYL-D-GLUCOSE FMN
Ref.: ACTIVE SITE ARCHITECTURE OF A SUGAR N-OXYGENASE. BIOCHEMISTRY V. 52 3191 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKM A:501;
Valid;
none;
submit data
561.371 C17 H29 N3 O14 P2 C[C@@...
FMN A:502;
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
4KCF 2.1 Å EC: 1.-.-.- X-RAY STRUCTURE OF A KIJD3 IN COMPLEX WITH FMN AND DTDP-3-AM TRIDEOXY-4-KETO-3-METHYL-D-GLUCOSE ACTINOMADURA KIJANIATA KIJD3 FATTY ACYL-COA DEHYDROGENASE FAMILY KIJANOSE KIJANIFAD FLAVOPROTEIN OXIDOREDUCTASE CLASS D FLAVIN CONTAININMONOOXYGENASES N-OXYGENASE NUCLEOTIDE LINKED SUGAR DTDP-236-TRIDEOXY-4-KETO-3-METHYL-D-GLUCOSE FMN
Ref.: ACTIVE SITE ARCHITECTURE OF A SUGAR N-OXYGENASE. BIOCHEMISTRY V. 52 3191 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 4KCF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 3M9V - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 4KCF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 3M9V - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 4KCF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 3M9V - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AKM; Similar ligands found: 58
No: Ligand ECFP6 Tc MDL keys Tc
1 AKM 1 1
2 JHZ 0.74 0.974684
3 3YN 0.673267 0.924051
4 DWN 0.673267 0.949367
5 0N2 0.666667 0.962025
6 TTP 0.638298 0.886076
7 1JB 0.637255 0.924051
8 TRH 0.637255 0.924051
9 18T 0.637255 0.924051
10 TYD 0.630435 0.886076
11 T3F 0.625 0.949367
12 T3Q 0.625 0.949367
13 3R2 0.621359 0.936709
14 TDX 0.621359 0.911392
15 DAU 0.615385 0.9
16 0FX 0.613208 0.949367
17 T46 0.603774 0.924051
18 MMF 0.598131 0.925
19 TMP 0.593407 0.873418
20 QDM 0.587156 0.890244
21 TLO 0.582524 0.864198
22 FNF 0.581818 0.936709
23 1YF 0.581818 0.936709
24 4TG 0.576577 0.936709
25 QUH 0.542373 0.949367
26 FUH 0.542373 0.949367
27 T5A 0.5 0.83908
28 7SG 0.492537 0.860465
29 TQP 0.492537 0.860465
30 TBD 0.490196 0.853659
31 DT DT DT 0.481818 0.8625
32 T5K 0.467153 0.872093
33 T4K 0.467153 0.872093
34 DT DT DT DT DT 0.46087 0.8875
35 ATY 0.457944 0.911392
36 THM 0.456522 0.775
37 LLT 0.456522 0.775
38 UFP 0.454545 0.807229
39 DT DT PST 0.452991 0.821429
40 5HU 0.45 0.8625
41 0DN 0.446809 0.740741
42 NYM 0.445545 0.898734
43 THP 0.441176 0.860759
44 AZD 0.436364 0.833333
45 TPE 0.435897 0.888889
46 BRU 0.435644 0.807229
47 FDM 0.431373 0.819277
48 5IU 0.431373 0.807229
49 T3P 0.424242 0.8375
50 4TA 0.421053 0.806818
51 ATM 0.420561 0.821429
52 D3T 0.420561 0.8625
53 DUT 0.420561 0.848101
54 DT ME6 DT 0.418605 0.821429
55 TXS 0.411765 0.72619
56 DUD 0.409524 0.848101
57 BVP 0.407407 0.839506
58 T3S 0.403846 0.746988
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 : 4KCF; Ligand: AKM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4kcf.bio4) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4KCF; Ligand: AKM; 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: 4kcf.bio4) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4KCF; 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: 4kcf.bio4) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4KCF; 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: 4kcf.bio4) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4KCF; Ligand: AKM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4kcf.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4KCF; 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: 4kcf.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4KCF; Ligand: AKM; 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: 4kcf.bio3) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4KCF; Ligand: AKM; 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: 4kcf.bio3) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4KCF; 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: 9) in the query (biounit: 4kcf.bio3) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4KCF; 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: 10) in the query (biounit: 4kcf.bio3) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 4KCF; Ligand: AKM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 4kcf.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 4KCF; Ligand: AKM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 4kcf.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 4KCF; Ligand: AKM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 4kcf.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 4KCF; Ligand: AKM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 4kcf.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 4KCF; 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: 15) in the query (biounit: 4kcf.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 4KCF; 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: 16) in the query (biounit: 4kcf.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 4KCF; 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: 17) in the query (biounit: 4kcf.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 4KCF; 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: 18) in the query (biounit: 4kcf.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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