Receptor
PDB id Resolution Class Description Source Keywords
2OG7 1.66 Å EC: 1.-.-.- CYSTAL STRUCTURE OF ASPARAGINE OXYGENASE IN COMPLEX WITH FE( 3S-3-HYDROXYASPARAGINE AND SUCCINATE STREPTOMYCES COELICOLOR A3(2) NONRIBOSOMAL PEPTIDE SYNTHESIS; NON-HEME IRON(II); ALPHA- KETOGLUTARATE OXYGENASE; BETA-HYDROXYLATED AMINO ACID OXIDOREDUCTASE ELECTRON TRANSPORT
Ref.: MECHANISTIC AND STRUCTURAL BASIS OF STEREOSPECIFIC CBETA-HYDROXYLATION IN CALCIUM-DEPENDENT ANTIBIOTIC DAPTOMYCIN-TYPE LIPOPEPTIDE ACS CHEM.BIOL. V. 2 187 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AHB A:7002;
Valid;
none;
submit data
148.117 C4 H8 N2 O4 [C@H]...
FE2 A:5001;
Part of Protein;
none;
submit data
55.845 Fe [Fe+2...
SIN A:6001;
Valid;
none;
submit data
116.072 C4 H6 O4 O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2OG7 1.66 Å EC: 1.-.-.- CYSTAL STRUCTURE OF ASPARAGINE OXYGENASE IN COMPLEX WITH FE( 3S-3-HYDROXYASPARAGINE AND SUCCINATE STREPTOMYCES COELICOLOR A3(2) NONRIBOSOMAL PEPTIDE SYNTHESIS; NON-HEME IRON(II); ALPHA- KETOGLUTARATE OXYGENASE; BETA-HYDROXYLATED AMINO ACID OXIDOREDUCTASE ELECTRON TRANSPORT
Ref.: MECHANISTIC AND STRUCTURAL BASIS OF STEREOSPECIFIC CBETA-HYDROXYLATION IN CALCIUM-DEPENDENT ANTIBIOTIC DAPTOMYCIN-TYPE LIPOPEPTIDE ACS CHEM.BIOL. V. 2 187 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 2OG7 - SIN C4 H6 O4 O=C([O-])C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 2OG7 - SIN C4 H6 O4 O=C([O-])C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 2OG7 - SIN C4 H6 O4 O=C([O-])C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AHB; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 AHB 1 1
2 THR 0.5 0.6
3 HGY 0.47619 0.633333
Ligand no: 2; Ligand: SIN; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 SIN 1 1
2 MLI 0.5 0.785714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2OG7; Ligand: AHB; Similar sites found: 23
This union binding pocket(no: 1) in the query (biounit: 2og7.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4N02 FNR 0.02903 0.4046 1.12045
2 4Y4V DAL 0.007031 0.40606 1.17994
3 1VRP ADP 0.01622 0.4071 2.2409
4 4I53 1C1 0.02461 0.40144 2.80112
5 3OTX AP5 0.02244 0.42221 2.88184
6 2PT9 S4M 0.0251 0.41119 3.11526
7 2PT9 2MH 0.03721 0.41119 3.11526
8 1C5C TK4 0.00965 0.40414 3.25581
9 4IX4 ADP 0.02898 0.40158 3.42857
10 2JG1 ANP 0.004668 0.44253 4.84848
11 1AG9 FMN 0.0163 0.41226 5.14286
12 3QDY A2G GAL 0.005896 0.42442 5.59441
13 3QDT A2G GAL 0.007239 0.41803 5.59441
14 3RYC GTP 0.04264 0.4041 5.59441
15 2FCR FMN 0.009537 0.42067 5.78035
16 3NC9 TR3 0.04864 0.40755 6.70927
17 4N49 SAM 0.02598 0.405 7.0028
18 3FJO FMN 0.005241 0.44029 7.28291
19 1TLL FMN 0.0257 0.40698 7.56302
20 4G9N NGA 0.006756 0.4148 7.69231
21 1UPR 4IP 0.008303 0.40484 12.1951
22 1CZR FMN 0.01274 0.41757 15.9763
23 1DRY AAG 0.00003408 0.56519 40.7407
Pocket No.: 2; Query (leader) PDB : 2OG7; Ligand: SIN; Similar sites found: 77
This union binding pocket(no: 2) in the query (biounit: 2og7.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2A1X AKG 0.00006723 0.48368 1.62338
2 1GP6 QUE 0.003163 0.44604 1.96629
3 1GP6 SIN 0.002966 0.44604 1.96629
4 3N9P OGA 0.002639 0.42063 2.2409
5 3N9O OGA 0.003079 0.41735 2.2409
6 3N9Q OGA 0.003361 0.41533 2.2409
7 5UQD AKG 0.003186 0.41451 2.2409
8 4PAB THG 0.00867 0.4302 2.52101
9 4GJY OGA 0.003125 0.41327 2.55319
10 1GQG DCD 0.007239 0.43936 2.57143
11 4QA8 PJZ 0.0007824 0.48404 2.62009
12 5I8T LAC 0.001473 0.45098 2.7933
13 3T1A 5MA 0.02347 0.40144 2.80112
14 4GCZ FMN 0.02175 0.4003 2.80112
15 5C5T AKG 0.00006949 0.45553 3.07018
16 4J25 OGA 0.00005834 0.47906 3.08123
17 5LUN OGA 0.00003268 0.47852 3.125
18 2XUM OGA 0.003521 0.41365 3.15186
19 1H2K OGA 0.003989 0.41125 3.15186
20 3P3N AKG 0.004801 0.40746 3.15186
21 4BVA T3 0.02752 0.41365 3.28358
22 3PUA OGA 0.00123 0.42283 3.36134
23 3E7O 35F 0.03122 0.4094 3.36134
24 4PFC 2QX 0.01671 0.40913 3.36134
25 4U0I 0LI 0.00447 0.45887 3.49206
26 1NYW DAU 0.0152 0.40622 3.5533
27 5HES 032 0.01714 0.42087 3.58306
28 4CCK OGA 0.0002458 0.47344 3.64026
29 4CCO OGA 0.000318 0.43963 3.64026
30 3NNF AKG 0.000005046 0.56659 3.77907
31 1H2M OGA 0.0036 0.41322 3.84615
32 4JGX PLM 0.003852 0.43289 3.87597
33 4BXF AKG 0.001006 0.42575 3.92157
34 5ML3 DL3 0.02294 0.41593 4.02685
35 2FCU AKG 0.00003172 0.4913 4.15335
36 5V1B 8UY 0.00005507 0.47001 4.16667
37 4BG1 IVL 0.0000001941 0.45653 4.20168
38 5F3I 5UJ 0.02411 0.43279 4.20168
39 3MJY FMN 0.01414 0.43035 4.33526
40 3MJY IJZ 0.01414 0.43035 4.33526
41 4OJ8 AKG 0.000000004244 0.50621 4.43686
42 4OJ8 2TQ 0.000000005563 0.48257 4.43686
43 4LIT AKG 0.001138 0.45082 4.48179
44 5FI4 5XV 0.0131 0.42488 4.48179
45 5XDT ZI7 0.01428 0.42536 4.54545
46 2IUW AKG 0.0002577 0.48122 4.62185
47 4JZR 4JR 0.0001867 0.43514 4.62963
48 1NX4 AKG 0.000000002998 0.73222 4.7619
49 4P7X AKG 0.0002332 0.49417 4.7619
50 4Y3O OGA 0.0001897 0.46643 4.7619
51 5L9B AKG 0.0005049 0.41618 4.7619
52 2RJH DCS 0.01174 0.4113 4.7619
53 4P7X YCP 0.0002332 0.40275 4.7619
54 4J7Q B7N 0.02565 0.40911 4.8048
55 5EPA AKG 0.000007102 0.50547 5.01792
56 4TW7 37K 0.02957 0.4082 5.46875
57 4NPL AKG 0.0002102 0.47873 5.6
58 4OCT AKG 0.00005077 0.45211 5.85586
59 4D52 GIV 0.007366 0.40453 6.03175
60 5YAS FAC 0.02034 0.40119 6.22568
61 4UF0 MMK 0.002826 0.44836 6.44258
62 3AVS OGA 0.001671 0.4521 6.72269
63 3AVR OGA 0.002157 0.415 6.72269
64 4XAC AKG 0.000005666 0.52249 7.56302
65 5M0T AKG 0.00004009 0.50336 9.52381
66 3ZW2 NAG GAL FUC 0.006375 0.42737 11.4943
67 3ZW2 GAL FUC 0.01569 0.40229 11.4943
68 4QXB OGA 0.001297 0.45337 11.7647
69 1OS7 TAU 0.000004174 0.43663 12.7208
70 1OS7 AKG 0.000004174 0.43663 12.7208
71 2YAJ 4HP 0.01635 0.40475 12.7907
72 5I0U DCY 0.008132 0.40977 16
73 4CCN OGA 0.0002389 0.46065 25.7143
74 5L9V OGA 0.0002899 0.42154 26.3158
75 1ND2 MYR 0.006834 0.42004 26.4706
76 1DRY AAG 0.0000000002498 0.86304 40.7407
77 1DRY AKG 0.0000000002498 0.46901 40.7407
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