Receptor
PDB id Resolution Class Description Source Keywords
4ADC 2.3 Å EC: 2.6.1.81 STRUCTURAL AND FUNCTIONAL STUDY OF SUCCINYL-ORNITHINE TRANSAMINASE FROM E. COLI ESCHERICHIA COLI TRANSFERASE PLP ENZYMES AMINOTRANSFERASE
Ref.: DETERMINATION OF THE STRUCTURE OF THE CATABOLIC N-SUCCINYLORNITHINE TRANSAMINASE (ASTC) FROM ESCHERIC PLOS ONE V. 8 58298 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA C:1404;
B:1404;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
PLP D:1403;
B:1403;
A:1403;
C:1403;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
MG B:1999;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ADC 2.3 Å EC: 2.6.1.81 STRUCTURAL AND FUNCTIONAL STUDY OF SUCCINYL-ORNITHINE TRANSAMINASE FROM E. COLI ESCHERICHIA COLI TRANSFERASE PLP ENZYMES AMINOTRANSFERASE
Ref.: DETERMINATION OF THE STRUCTURE OF THE CATABOLIC N-SUCCINYLORNITHINE TRANSAMINASE (ASTC) FROM ESCHERIC PLOS ONE V. 8 58298 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ADD - PLP SUO n/a n/a
2 4ADC - PLP C8 H10 N O6 P Cc1c(c(c(c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ADD - PLP SUO n/a n/a
2 4ADC - PLP C8 H10 N O6 P Cc1c(c(c(c....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ADD - PLP SUO n/a n/a
2 4ADC - 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 : 4ADC; 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: 4adc.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4ADC; Ligand: PLP; Similar sites found: 46
This union binding pocket(no: 2) in the query (biounit: 4adc.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2G50 ALA 0.03434 0.40185 1.72414
2 1M32 PLP 0.01419 0.41963 2.18579
3 3DR4 G4M 0.007404 0.4116 2.30179
4 1LW4 TLP 0.0005007 0.42118 2.30548
5 1LW4 PLP 0.0002736 0.41906 2.30548
6 3PD6 PMP 0.004048 0.43808 2.74314
7 3NUB UD0 0.005628 0.40871 2.78552
8 5W71 9YM 0.006638 0.41566 3.69458
9 2WK9 PLG 0.003244 0.42007 3.85604
10 2WK9 PLP 0.004526 0.41139 3.85604
11 2YPI PGA 0.01748 0.4067 4.45344
12 3VP6 HLD 0.0004822 0.44383 4.6798
13 1TE2 PGA 0.02584 0.40853 5.75221
14 1DFO PLG 0.002022 0.40351 5.7554
15 5W70 9YM 0.002502 0.401 6.15764
16 5K8B PDG 0.00153 0.41734 6.45161
17 2F9W PAU 0.02806 0.40027 6.89655
18 1FC4 AKB PLP 0.002825 0.42085 7.73067
19 4IJ6 SEP 0.01494 0.42093 9.00474
20 4K2M O1G 0.001167 0.42992 9.85222
21 3WGC PLG 0.0005664 0.40938 9.97067
22 1JQY A32 0.01661 0.41188 13.5922
23 5DDW 5B6 0.000000000008142 0.77744 26.1084
24 1MLY ACZ PLP 0.000000006305 0.60128 34.7291
25 4ZM4 PLP 0.0000000006094 0.74922 35.468
26 4ZM4 P3B 0.000000003631 0.67429 35.468
27 5KGS 6SR 0.000000004251 0.68984 35.7143
28 3FQ8 PMP 0.00000001822 0.62132 35.9606
29 4AOA IK2 0.000000001082 0.60559 37.931
30 3BS8 PMP 0.001828 0.43188 40.6404
31 4ZSY RW2 0.0000000002274 0.71647 40.8867
32 2CJH AKG 0.0004263 0.46388 40.8867
33 5G09 6DF 0.0000000004095 0.65544 44.5813
34 4B98 PXG 0.000000009077 0.5854 44.8276
35 4E3Q PMP 0.00000000028 0.58901 45.0739
36 4UHO PLP 0.00000001482 0.72957 45.5665
37 5WYF ILP 0.00000000067 0.64857 46.0591
38 2OAT PFM 0.000000000002768 0.83249 46.3054
39 5G4J EXT 0.000000002401 0.69112 46.5517
40 4BA5 PXG 0.0000003948 0.51664 47.0443
41 3A8U PLP 0.02196 0.40182 48.0296
42 4UOX PUT 0.000000000006225 0.68063 48.5222
43 4UOX PLP PUT 0.00000000003607 0.66942 48.5222
44 4UOX PLP 0.000000000002379 0.66035 48.5222
45 1SFF IK2 0.000000000002272 0.81211 49.0148
46 1ZC9 PMP 0.00000005906 0.56318 49.7537
Pocket No.: 3; Query (leader) PDB : 4ADC; Ligand: PLP; Similar sites found: 35
This union binding pocket(no: 3) in the query (biounit: 4adc.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5U23 TQP 0.001487 0.46528 1.3089
2 4IY7 0JO 0.01236 0.40521 1.51134
3 4IY7 KOU 0.01423 0.40231 1.51134
4 1PMO PLR 0.002791 0.42493 1.72414
5 2IID FAD 0.03888 0.41353 1.72414
6 2IID PHE 0.03888 0.41353 1.72414
7 2C77 GNP 0.01269 0.40467 2.22222
8 2X6T NAP 0.02196 0.40609 2.52101
9 3PDB PMP 0.002994 0.42354 2.74314
10 1OXO IK2 0.02036 0.42083 2.74314
11 3WXM GTP 0.01702 0.40345 2.95567
12 3VMF GTP 0.01857 0.40308 2.95567
13 5X2Z 3LM 0.003237 0.44143 3.26633
14 5X30 7XF 0.002661 0.43487 3.26633
15 5X30 4LM 0.003007 0.43031 3.26633
16 4CE5 PDG 0.01553 0.40829 3.3033
17 3TKL GTP 0.01096 0.41269 3.57143
18 5W71 PLP 0.0002857 0.4781 3.69458
19 1U08 PLP 0.005968 0.40521 3.88601
20 4X28 FDA 0.007178 0.43143 4.02145
21 4UUG PXG 0.01836 0.40333 4.81928
22 2OGA PGU 0.002237 0.44233 5.26316
23 5UQW GDP 0.01834 0.40188 5.29101
24 5GVL PLG 0.009712 0.43368 5.66502
25 5GVL GI8 0.009712 0.43368 5.66502
26 1U8Z GDP 0.01791 0.40083 5.95238
27 2R5C C6P 0.01285 0.40441 6.15764
28 1MDZ DCS 0.02885 0.40354 6.61578
29 1MDZ PLP 0.02745 0.40354 6.61578
30 1CXZ GSP 0.0142 0.40406 10.4651
31 4BNU 9KQ 0.01006 0.41287 12.2677
32 2EFE GNH 0.01152 0.40487 12.7072
33 1WYV PLP AOA 0.001808 0.44065 12.8079
34 1DJ9 KAM 0.001748 0.4391 13.5417
35 1GCK ASP PLP 0.01108 0.40376 24.6753
Pocket No.: 4; Query (leader) PDB : 4ADC; 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: 4adc.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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