Receptor
PDB id Resolution Class Description Source Keywords
4V15 1.5 Å EC: 4.1.2.42 CRYSTAL STRUCTURE OF D-THREONINE ALDOLASE FROM ALCALIGENES XYLOSOXIDANS ACHROMOBACTER XYLOSOXIDANS LYASE DEGRADATION VITAMIN B6- ENZYME FOLD-TYPE III ALANINRACEMASE- LIKE DOMAIN
Ref.: THE CRYSTAL STRUCTURE OF D-THREONINE ALDOLASE FROM ALCALIGENES XYLOSOXIDANS PROVIDES INSIGHT INTO A ME ASSISTED PLP-DEPENDENT MECHANISM. PLOS ONE V. 10 24056 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA B:1383;
A:1383;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
PLP A:1380;
A:1381;
B:1381;
B:1380;
Invalid;
Valid;
Valid;
Invalid;
none;
none;
none;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
MN B:1382;
A:1382;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4V15 1.5 Å EC: 4.1.2.42 CRYSTAL STRUCTURE OF D-THREONINE ALDOLASE FROM ALCALIGENES XYLOSOXIDANS ACHROMOBACTER XYLOSOXIDANS LYASE DEGRADATION VITAMIN B6- ENZYME FOLD-TYPE III ALANINRACEMASE- LIKE DOMAIN
Ref.: THE CRYSTAL STRUCTURE OF D-THREONINE ALDOLASE FROM ALCALIGENES XYLOSOXIDANS PROVIDES INSIGHT INTO A ME ASSISTED PLP-DEPENDENT MECHANISM. PLOS ONE V. 10 24056 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4V15 - PLP C8 H10 N O6 P Cc1c(c(c(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 4V15 - PLP C8 H10 N O6 P Cc1c(c(c(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 4V15 - PLP C8 H10 N O6 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PLP; Similar ligands found: 55
No: Ligand ECFP6 Tc MDL keys Tc
1 PLP 1 1
2 PZP 0.729167 0.843137
3 EXT 0.62069 0.8
4 AN7 0.603448 0.918367
5 EPC 0.603448 0.862745
6 FOO 0.59322 0.849057
7 PLR 0.58 0.895833
8 4LM 0.57377 0.818182
9 0JO 0.57377 0.803571
10 P3D 0.571429 0.704918
11 MPM 0.564516 0.814815
12 KOU 0.555556 0.836364
13 HCP 0.546875 0.77193
14 6DF 0.545455 0.811321
15 PXL 0.541667 0.659574
16 Z98 0.537313 0.75
17 PXP 0.537037 0.862745
18 PMP 0.527273 0.767857
19 P0P 0.527273 0.916667
20 PL6 0.522388 0.818182
21 GT1 0.517857 0.830189
22 PFM 0.514706 0.803571
23 LLP 0.5 0.737705
24 PL5 0.479452 0.775862
25 PUS 0.479452 0.707692
26 MPL 0.473684 0.836364
27 PLG 0.46875 0.75
28 IN5 0.46875 0.758621
29 P89 0.466667 0.714286
30 PLP PUT 0.463768 0.684211
31 5DK 0.460526 0.725806
32 O1G 0.454545 0.75
33 PLP ABU 0.450704 0.706897
34 PLT 0.439024 0.762712
35 X04 0.431034 0.851852
36 PP3 0.426471 0.762712
37 P1T 0.426471 0.714286
38 PDD 0.426471 0.762712
39 PDA 0.426471 0.762712
40 IK2 0.42029 0.714286
41 33P 0.42029 0.745763
42 2BO 0.414286 0.793103
43 PLS 0.414286 0.779661
44 PMH 0.414286 0.619718
45 5PA 0.414286 0.714286
46 TLP 0.414286 0.793103
47 2BK 0.414286 0.793103
48 C6P 0.408451 0.75
49 PPD 0.408451 0.75
50 QLP 0.405405 0.681818
51 MP5 0.403509 0.666667
52 PY5 0.402778 0.703125
53 PLA 0.402778 0.703125
54 HEY 0.4 0.703125
55 PLP PHE 0.4 0.732143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4V15; Ligand: PLP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4v15.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4V15; Ligand: PLP; 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: 4v15.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4V15; Ligand: PLP; Similar sites found: 67
This union binding pocket(no: 3) in the query (biounit: 4v15.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5EB4 FAD 0.03673 0.40496 1.84697
2 5X20 NAD 0.02266 0.40028 1.92308
3 3DJF BC3 0.01677 0.40376 2.09059
4 3IAL PR8 0.01205 0.40912 2.11082
5 1Q6O LG6 0.00338 0.42578 2.31481
6 1Z17 ILE 0.01644 0.40531 2.32558
7 3GLC R5P 0.007949 0.40407 2.37288
8 2PLK P3D 0.0003569 0.48023 2.37467
9 1M5W DXP 0.00339 0.43597 2.46914
10 3TAO PGH 0.007366 0.40146 2.62172
11 3OVR 5SP 0.004208 0.43102 2.63158
12 2D24 XYS XYS 0.01528 0.40276 2.63852
13 1SW0 PGA 0.009447 0.40062 2.82258
14 1NJJ ORX 0.0006206 0.4688 2.90237
15 2GMM MAN MAN 0.01613 0.40662 3.1746
16 3OIX FMN 0.01906 0.40106 3.18841
17 1ADO 13P 0.003671 0.43877 3.30579
18 4YNU FAD 0.02351 0.41842 3.43008
19 4YNU LGC 0.02699 0.41842 3.43008
20 4LH0 GLV 0.03178 0.4045 3.43008
21 4HKP 16B 0.002244 0.43835 3.52564
22 4HKP TKW 0.002979 0.4382 3.52564
23 1OVD FMN 0.03046 0.40544 3.53698
24 1OVD ORO 0.03046 0.40544 3.53698
25 1TUF AZ1 0.00359 0.43767 3.69393
26 1DQX BMP 0.003907 0.43079 3.74532
27 1W8S FBP 0.004469 0.41791 3.80228
28 4EYG VNL 0.006234 0.40892 3.80435
29 3MI2 PFU 0.01482 0.43128 3.94265
30 2OO0 PLP 0.0002394 0.47919 3.95778
31 2RJH DCS 0.0005865 0.45862 3.95778
32 3VZ3 SSN 0.03201 0.40334 4.22164
33 2QCD U5P 0.004661 0.42532 4.23077
34 1X1Z BMP 0.02163 0.4227 4.36508
35 1G51 AMO 0.02162 0.40263 4.48549
36 3FHI ANP 0.01702 0.40635 4.54545
37 3REU ATP 0.01292 0.40063 4.7619
38 3IP5 ALA 0.0104 0.4149 4.77528
39 4ITU 1HS 0.03658 0.40677 5.01319
40 4YG6 GAL NAG 0.002957 0.43277 5.52147
41 5HSA FAS 0.01971 0.4198 5.5409
42 4LUT DCS 0.0008467 0.42734 5.80475
43 5GJO PLP 0.0002079 0.4794 6.0686
44 3MJY FMN 0.026 0.40473 6.35838
45 3MJY IJZ 0.026 0.40473 6.35838
46 5A5W GUO 0.008122 0.43763 6.71937
47 4WZH FMN 0.02043 0.40248 6.91643
48 2B4G FMN 0.0222 0.40206 7.25552
49 1JCM 137 0.008673 0.40876 7.33591
50 3GDN HBX 0.04742 0.4069 7.65171
51 3GDN FAD 0.03637 0.4069 7.65171
52 2AE2 NAP 0.01665 0.42267 7.69231
53 2AE2 PTO 0.01665 0.42267 7.69231
54 1EIX BMQ 0.01311 0.40033 8.16327
55 5H9Y BGC BGC BGC BGC 0.01042 0.40089 9.23483
56 4EWN 0VR 0.005448 0.40006 9.88142
57 2GAG FAD 0.04162 0.40624 10.101
58 2VDF OCT 0.0006979 0.44741 11.0672
59 2FLI DX5 0.0007692 0.40503 11.3636
60 2VD9 IN5 0.001485 0.42423 13.1926
61 2VD9 EPC 0.00166 0.41604 13.1926
62 5FAG PPI 0.001174 0.44941 14.1463
63 2RHO GSP 0.02045 0.40105 14.1538
64 3QVP FAD 0.008096 0.44149 14.7757
65 2SFP PPI 0.002298 0.43357 17.4142
66 1VFS DCS 0.0005919 0.42739 19.5251
67 3WQD PLP 999 0.000004079 0.51526 43.7995
Pocket No.: 4; Query (leader) PDB : 4V15; Ligand: PLP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4v15.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback