Receptor
PDB id Resolution Class Description Source Keywords
2OEM 1.7 Å EC: 5.3.2.- CRYSTAL STRUCTURE OF A RUBISCO-LIKE PROTEIN FROM GEOBACILLUS KAUSTOPHILUS LIGANDED WITH MG2+ AND 2,3-DIKETOHEXANE 1-PHOS GEOBACILLUS KAUSTOPHILUS RUBISCO-LIKE PROTEIN ENOLASE" ISOMERASE"
Ref.: MECHANISTIC DIVERSITY IN THE RUBISCO SUPERFAMILY: T "ENOLASE" IN THE METHIONINE SALVAGE PATHWAY IN GEOB KAUSTOPHILUS. BIOCHEMISTRY V. 46 4077 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1AE A:901;
B:902;
Valid;
Valid;
none;
none;
submit data
210.122 C6 H11 O6 P CCCC(...
MG A:911;
B:912;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2OEM 1.7 Å EC: 5.3.2.- CRYSTAL STRUCTURE OF A RUBISCO-LIKE PROTEIN FROM GEOBACILLUS KAUSTOPHILUS LIGANDED WITH MG2+ AND 2,3-DIKETOHEXANE 1-PHOS GEOBACILLUS KAUSTOPHILUS RUBISCO-LIKE PROTEIN ENOLASE" ISOMERASE"
Ref.: MECHANISTIC DIVERSITY IN THE RUBISCO SUPERFAMILY: T "ENOLASE" IN THE METHIONINE SALVAGE PATHWAY IN GEOB KAUSTOPHILUS. BIOCHEMISTRY V. 46 4077 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2OEM - 1AE C6 H11 O6 P CCCC(=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 1 families.
1 2OEM - 1AE C6 H11 O6 P CCCC(=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 1 families.
1 2OEM - 1AE C6 H11 O6 P CCCC(=O)/C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1AE; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1AE 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2OEM; Ligand: 1AE; Similar sites found: 64
This union binding pocket(no: 1) in the query (biounit: 2oem.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3GGO ENO 0.04739 0.40089 1.91083
2 5BUK FAD 0.02725 0.41508 1.93705
3 1VKF CIT 0.01035 0.4099 2.12766
4 4ORM 2V6 0.04174 0.41622 2.49377
5 4ORM FMN 0.04174 0.41622 2.49377
6 4Q4K FMN 0.01361 0.4111 2.52101
7 4UTU LRY 0.0005146 0.44859 3.05677
8 1JCM 137 0.002127 0.40844 3.0888
9 2GNB MAN 0.01685 0.40879 3.1746
10 1LYX PGA 0.00507 0.40622 3.22581
11 3MJY IJZ 0.009854 0.42581 3.46821
12 4UTW RFW 0.0006352 0.45952 3.49345
13 5CSS G3P 0.001877 0.42591 3.53982
14 2FLI DX5 0.0001249 0.43076 3.63636
15 3WMX THR 0.02533 0.40269 3.91061
16 3MI2 PFU 0.02367 0.42065 3.94265
17 1TRD PGH 0.002603 0.42632 4
18 5EYW PGA 0.001268 0.45129 4.01606
19 2I0G I0G 0.03544 0.41218 4.28016
20 1SW0 PGA 0.0009524 0.44633 4.83871
21 2YPI PGA 0.0009384 0.45193 4.8583
22 4JEJ 1GP 0.001768 0.43402 4.91803
23 1XXR MAN 0.0137 0.4098 4.96894
24 3B0P FMN 0.001963 0.41642 5.14286
25 2BTM PGA 0.00129 0.45091 5.15873
26 3CTL S6P 0.0009977 0.408 5.19481
27 3TAO PGH 0.001587 0.44121 5.24345
28 3EXS 5RP 0.00005496 0.50981 5.42986
29 1OVD FMN 0.006275 0.44019 5.46624
30 5FJN BE2 0.01923 0.42295 5.81114
31 5FJN FAD 0.01782 0.42295 5.81114
32 4IGH ORO 0.03282 0.42246 5.81114
33 4IGH 1EA 0.03282 0.42246 5.81114
34 4IGH FMN 0.03282 0.42246 5.81114
35 1GXU 2HP 0.0064 0.43709 6.59341
36 1QDS PGA 0.0008999 0.45279 6.77291
37 1TB3 FMN 0.01248 0.41828 6.81818
38 4EWN 0VR 0.00387 0.40557 8.3004
39 4NAE 1GP 0.004558 0.43376 8.44444
40 4BI7 PGA 0.002469 0.43732 8.94942
41 5A5W GUO 0.007261 0.44011 9.48617
42 1X1Z BMP 0.04942 0.40381 9.52381
43 2F6U CIT 0.01647 0.40182 10.2564
44 5JDA AMP 0.004994 0.42143 12.2563
45 4MNS 2AX 0.0491 0.40321 12.5786
46 3OVR 5SP 0.00006517 0.43355 14.0351
47 4YMZ 13P 0.0009496 0.45734 15.1394
48 3QH2 3NM 0.002157 0.4457 20.362
49 1Q6O LG6 0.0001986 0.45386 22.2222
50 1M5W DXP 0.007872 0.41779 22.6337
51 1BWV CAP 0.000022 0.48242 36.5617
52 1IR1 CAP 0.000009374 0.48627 40.4358
53 2V6A CAP 0.000003451 0.57334 40.678
54 2V68 CAP 0.000003606 0.50288 40.9201
55 2V63 CAP 0.000002622 0.50069 40.9201
56 1UZD CAP 0.000002781 0.49853 40.9201
57 1IR2 CAP 0.000002802 0.49841 40.9201
58 2V67 CAP 0.000003528 0.49529 40.9201
59 1UZH CAP 0.000004371 0.49239 40.9201
60 2VDH CAP 0.000002925 0.49735 41.1622
61 1RBL CAP 0.000004287 0.4843 41.6465
62 1WDD CAP 0.000005457 0.49687 42.1307
63 3AXK NDP 0.00005395 0.48383 42.1307
64 3AXM 6PG 0.0007432 0.4655 42.1307
Pocket No.: 2; Query (leader) PDB : 2OEM; Ligand: 1AE; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2oem.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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