Receptor
PDB id Resolution Class Description Source Keywords
1OIJ 2.1 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF THE ALKYLSULFATASE ATSK, A NON-HEME FE (II) ALPHAKETOGLUTARATE DEPENDENT DIOXYGENASE IN COMPLEX W ITH ALPHAKETOGLUTARATE PSEUDOMONAS PUTIDA OXIDOREDUCTASE JELLY ROLL
Ref.: CRYSTAL STRUCTURE OF THE ALKYLSULFATASE ATSK: INSIGHTS INTO THE CATALYTIC MECHANISM OF THE FE(II) ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE SUPERFAMILY BIOCHEMISTRY V. 42 3075 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG A:1302;
B:1302;
C:1301;
D:1301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
146.098 C5 H6 O5 C(CC(...
NA A:1301;
B:1301;
C:1300;
D:1300;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OIJ 2.1 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF THE ALKYLSULFATASE ATSK, A NON-HEME FE (II) ALPHAKETOGLUTARATE DEPENDENT DIOXYGENASE IN COMPLEX W ITH ALPHAKETOGLUTARATE PSEUDOMONAS PUTIDA OXIDOREDUCTASE JELLY ROLL
Ref.: CRYSTAL STRUCTURE OF THE ALKYLSULFATASE ATSK: INSIGHTS INTO THE CATALYTIC MECHANISM OF THE FE(II) ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE SUPERFAMILY BIOCHEMISTRY V. 42 3075 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 1OIJ - AKG C5 H6 O5 C(CC(=O)O)....
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 1OIJ - AKG C5 H6 O5 C(CC(=O)O)....
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 1OIJ - AKG C5 H6 O5 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AKG; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 OOG 0.5 0.947368
3 69O 0.458333 0.714286
4 2IT 0.423077 0.615385
5 SHF 0.416667 0.666667
6 3PY 0.409091 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1OIJ; Ligand: AKG; Similar sites found: 68
This union binding pocket(no: 1) in the query (biounit: 1oij.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3PUA OGA 0.001578 0.41875 1.66113
2 4BXF AKG 0.00003218 0.49117 1.99336
3 5UQD AKG 0.00176 0.42631 2.32558
4 5IVE 6E8 0.01553 0.42175 2.32558
5 3H7J PPY 0.0000295 0.43088 2.46914
6 3N9O OGA 0.002773 0.42178 2.65781
7 3PUR 2HG 0.001388 0.42029 2.65781
8 3N9P OGA 0.004841 0.40808 2.65781
9 5UIU 8CG 0.03854 0.40098 2.65781
10 4BQY FNT 0.000001565 0.44369 2.77778
11 3HQR OGA 0.00001743 0.45755 2.84553
12 2IUW AKG 0.000002424 0.50974 2.94118
13 2A1X AKG 0.000001575 0.59117 2.99003
14 4Y3O OGA 0.00009133 0.4803 2.99003
15 4CCK OGA 0.0001072 0.4779 2.99003
16 5A3T MMK 0.01579 0.41539 2.99003
17 1DRY AAG 0.000000635 0.40898 2.99003
18 1DRY AKG 0.000000635 0.40898 2.99003
19 2XUM OGA 0.003123 0.41378 3.32226
20 4GJY OGA 0.001122 0.43641 3.40426
21 5IQT AKG 0.00001565 0.41129 3.65448
22 4J25 OGA 0.000005849 0.52269 3.93013
23 4LIT AKG 0.003715 0.41828 3.98671
24 1EBG PAH 0.01318 0.41624 3.98671
25 5EPA AKG 0.000008522 0.56107 4.30108
26 2FCU AKG 0.0003052 0.44959 4.31894
27 4XAC AKG 0.000002659 0.58584 4.36508
28 3NNF AKG 0.000009429 0.54979 4.65116
29 4NPL AKG 0.00001688 0.50412 4.8
30 3W21 AKG 0.0008192 0.44405 5.12821
31 5C5T AKG 0.000005191 0.49712 5.26316
32 3P3N AKG 0.003983 0.40882 5.31561
33 4B7E OGA 0.00381 0.40227 5.31561
34 2Y0I AKG 0.004218 0.40039 5.31561
35 4OCT AKG 0.000004745 0.48506 5.40541
36 5IQD RIO 0.03069 0.41527 5.98007
37 5IQD GNP 0.02953 0.41527 5.98007
38 3KV5 OGA 0.001289 0.43545 6.31229
39 3KV4 OGA 0.001061 0.42625 6.31229
40 3SCH TB6 0.004902 0.4168 6.56566
41 1GP6 SIN 0.001162 0.46971 7.30897
42 1GP6 QUE 0.001243 0.46971 7.30897
43 1GP6 DH2 0.001162 0.46971 7.30897
44 5MY8 RXZ 0.01889 0.41651 7.6412
45 5M0T AKG 0.0002213 0.46585 7.82313
46 5V1B 8UY 0.00004659 0.47286 8.33333
47 1NX4 AKG 0.00000006397 0.60635 8.42491
48 5LUN OGA 0.00002519 0.48389 8.9701
49 4P7X YCP 0.000001272 0.62074 9.58904
50 4P7X AKG 0.000001272 0.62074 9.58904
51 5FLJ QUE 0.007412 0.43167 10.2151
52 5I8T LAC 0.0008361 0.45873 10.6145
53 4CCN OGA 0.00008017 0.48357 11.4286
54 5I2E 67D 0.02557 0.42445 11.6279
55 5L9B AKG 0.000003677 0.48999 12.6984
56 3AVS OGA 0.0008791 0.41609 13.9535
57 4UF0 MMK 0.001339 0.46375 14.2857
58 1H2M OGA 0.002464 0.41823 15.3846
59 4RFR RHN 0.00001779 0.56032 15.7635
60 4IGQ OGA 0.002498 0.41685 16.9435
61 1H2K OGA 0.002124 0.42234 19.5122
62 4CCO OGA 0.0001721 0.45031 20
63 4BG1 IVL 0.000009295 0.42001 21.2625
64 3AVR OGA 0.0005313 0.43887 27.2727
65 4OJ8 AKG 0.0000001776 0.46974 31.2292
66 4OJ8 2TQ 0.0000002251 0.45 31.2292
67 3N9Q OGA 0.002629 0.42347 35.2941
68 4QXB OGA 0.0008093 0.46798 40
Pocket No.: 2; Query (leader) PDB : 1OIJ; Ligand: AKG; Similar sites found: 48
This union binding pocket(no: 2) in the query (biounit: 1oij.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3MTX PGT 0.01572 0.42252 None
2 1J3R 6PG 0.01624 0.40222 2.10526
3 5LRT ADP 0.02175 0.41083 2.32558
4 3ZDS HMQ 0.01165 0.40594 2.32558
5 3H9A PPY 0.002122 0.40535 2.46914
6 4OMJ 2TX 0.0366 0.40223 2.51799
7 5FBN 5WF 0.02147 0.42171 2.58303
8 3TKI S25 0.03382 0.42114 2.65781
9 5F3I 5UJ 0.009008 0.44754 2.99003
10 2GU8 796 0.02842 0.42723 2.99003
11 5LY2 OGA 0.00383 0.40853 2.99003
12 5FWE OGA 0.004697 0.40664 2.99003
13 4UTW RFW 0.01823 0.40267 3.05677
14 1Y0G 8PP 0.02451 0.42936 3.14136
15 5MJA 7O3 0.0186 0.40325 3.32226
16 4NKW PLO 0.008353 0.4167 3.65448
17 3RI1 3RH 0.03128 0.40386 3.65448
18 4Y85 499 0.009674 0.41381 3.98671
19 4D2S DYK 0.005156 0.43083 4.22535
20 3RGA ILD 0.03255 0.40065 4.24028
21 4QM9 CYS 0.002798 0.41597 4.62428
22 5MW8 ATP 0.01148 0.43437 4.65116
23 1JJE BYS 0.01998 0.40207 4.95496
24 4YZC STU 0.02178 0.42323 4.98339
25 2WA4 069 0.0006767 0.40513 5.31561
26 5I0U DCY 0.002756 0.43753 5.5
27 2GJ5 VD3 0.01953 0.42186 5.55556
28 1QY1 PRZ 0.009378 0.42991 5.74713
29 5FWJ MMK 0.001446 0.40541 5.98007
30 3DLS ADP 0.01288 0.40251 5.98007
31 4A4X JUP 0.007405 0.43772 6.09319
32 4CYI ATP 0.01968 0.40143 6.31229
33 3IES M24 0.02315 0.4198 6.97674
34 5IXG OTP 0.02788 0.41477 7.10059
35 4BJ8 BTN 0.01224 0.41565 7.93651
36 3OFM 4B0 0.01471 0.40896 7.97342
37 5TFZ 7BC 0.001053 0.40975 8
38 5IH9 6BF 0.03008 0.40931 8.63787
39 3E7O 35F 0.01521 0.42837 8.9701
40 5VC5 96M 0.02504 0.40252 10.0346
41 2ET1 GLV 0.0006629 0.43454 10.4478
42 5HQ0 LZ9 0.005592 0.43762 10.7143
43 4QYN RTL 0.02934 0.40358 11.2782
44 4MNS 2AX 0.01122 0.44832 11.9497
45 5ML3 DL3 0.02442 0.42773 15.4362
46 5FI4 5XV 0.03143 0.40129 16.2791
47 4IJP 1EH 0.005637 0.43919 21.5947
48 2P5B OGA 0.008534 0.41151 27.2727
Pocket No.: 3; Query (leader) PDB : 1OIJ; Ligand: AKG; Similar sites found: 3
This union binding pocket(no: 3) in the query (biounit: 1oij.bio3) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3T3Z 9PL 0.008748 0.40374 6.64452
2 5U98 1KX 0.04619 0.40683 7.07071
3 3GE7 AFQ 0.01468 0.45429 20.9302
Pocket No.: 4; Query (leader) PDB : 1OIJ; Ligand: AKG; Similar sites found: 7
This union binding pocket(no: 4) in the query (biounit: 1oij.bio4) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5A89 FMN 0.0314 0.41871 2.5641
2 5A89 ADP 0.0314 0.41871 2.5641
3 3WQQ IB3 0.02249 0.42137 2.65781
4 3PNL ADP 0.01056 0.41711 2.8436
5 5C4L 4XR 0.04625 0.40814 3.32226
6 2Q2V NAD 0.02847 0.4164 3.92157
7 1URX AAL GAL AAL GLA 0.01741 0.4159 4.25532
Feedback