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Receptor
PDB id Resolution Class Description Source Keywords
3BS8 2.3 Å EC: 5.4.3.8 CRYSTAL STRUCTURE OF GLUTAMATE 1-SEMIALDEHYDE AMINOTRANSFERA COMPLEXED WITH PYRIDOXAMINE-5'-PHOSPHATE FROM BACILLUS SUBT BACILLUS SUBTILIS GLUTAMATE-1-SEMIALDEHYDE 21-AMINOTRANSFERASE PORPHYRIN BIOSYNTHESIS ISOMERASE PYRIDOXAL PHOSPHATE
Ref.: CRYSTAL STRUCTURE OF GLUTAMATE1-SEMIALDEHYDE AMINOTRANSFERASE FROM BACILLUS SUBTILIS WITH BOUND PYRIDOXAMINE-5'-PHOSPHATE BIOCHEM.BIOPHYS.RES.COMMUN. V. 402 356 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PMP A:431;
Valid;
none;
submit data
248.173 C8 H13 N2 O5 P Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3BS8 2.3 Å EC: 5.4.3.8 CRYSTAL STRUCTURE OF GLUTAMATE 1-SEMIALDEHYDE AMINOTRANSFERA COMPLEXED WITH PYRIDOXAMINE-5'-PHOSPHATE FROM BACILLUS SUBT BACILLUS SUBTILIS GLUTAMATE-1-SEMIALDEHYDE 21-AMINOTRANSFERASE PORPHYRIN BIOSYNTHESIS ISOMERASE PYRIDOXAL PHOSPHATE
Ref.: CRYSTAL STRUCTURE OF GLUTAMATE1-SEMIALDEHYDE AMINOTRANSFERASE FROM BACILLUS SUBTILIS WITH BOUND PYRIDOXAMINE-5'-PHOSPHATE BIOCHEM.BIOPHYS.RES.COMMUN. V. 402 356 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3BS8 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2HOZ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
2 2GSA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
3 3FQ8 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
4 3FQ7 - PXG C15 H17 N2 O7 P Cc1c(c(c(c....
5 2HP1 - EA5 C13 H22 N3 O7 P Cc1c(c(c(c....
6 3FQA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
7 3BS8 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2HOZ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
2 2GSA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
3 3FQ8 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
4 3FQ7 - PXG C15 H17 N2 O7 P Cc1c(c(c(c....
5 2HP1 - EA5 C13 H22 N3 O7 P Cc1c(c(c(c....
6 3BS8 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PMP; Similar ligands found: 83
No: Ligand ECFP6 Tc MDL keys Tc
1 PMP 1 1
2 PXP 0.7 0.888889
3 GT1 0.673077 0.793103
4 PLG 0.57377 0.866667
5 IN5 0.57377 0.912281
6 P1T 0.571429 0.825397
7 PLR 0.557692 0.781818
8 2BK 0.553846 0.881356
9 2BO 0.553846 0.881356
10 TLP 0.553846 0.881356
11 PDD 0.546875 0.881356
12 PP3 0.546875 0.881356
13 PDA 0.546875 0.881356
14 ILP 0.544118 0.852459
15 IK2 0.538462 0.825397
16 33P 0.538462 0.896552
17 PMH 0.530303 0.742857
18 5PA 0.530303 0.825397
19 PLS 0.530303 0.866667
20 PLP 0.527273 0.767857
21 PPD 0.522388 0.866667
22 C6P 0.522388 0.866667
23 ORX 0.521127 0.854839
24 PXM 0.52 0.735849
25 PZP 0.517857 0.836364
26 PLA 0.514706 0.8125
27 PY5 0.514706 0.8125
28 PL2 0.514286 0.84127
29 QLP 0.514286 0.815385
30 PE1 0.513889 0.854839
31 PPG 0.513514 0.825397
32 P0P 0.508772 0.8
33 HEY 0.507042 0.8125
34 PDG 0.5 0.83871
35 CBA 0.5 0.83871
36 EA5 0.5 0.828125
37 3LM 0.5 0.787879
38 7XF 0.5 0.83871
39 7TS 0.5 0.702703
40 PGU 0.5 0.83871
41 9YM 0.493151 0.868852
42 DCS 0.492958 0.712329
43 PMG 0.492958 0.787879
44 LPI 0.492958 0.776119
45 LCS 0.492958 0.675676
46 76U 0.486111 0.825397
47 PY6 0.486111 0.787879
48 PL4 0.48 0.854839
49 PSZ 0.479452 0.8
50 N5F 0.479452 0.825397
51 0JO 0.462687 0.714286
52 4LM 0.462687 0.725806
53 AN7 0.461538 0.741379
54 PXG 0.460526 0.866667
55 RW2 0.460526 0.8
56 FOO 0.454545 0.75
57 PL8 0.454545 0.732394
58 NPL 0.45 0.898305
59 FEV 0.449275 0.714286
60 KAM 0.448718 0.825397
61 RMT 0.448718 0.765625
62 1D0 0.444444 0.8
63 2B1 0.443038 0.690141
64 7B9 0.443038 0.764706
65 P3D 0.442857 0.85
66 EVM 0.442857 0.786885
67 EPC 0.439394 0.789474
68 MP5 0.438596 0.728814
69 PLP CYS 0.43662 0.836066
70 EXT 0.432836 0.79661
71 AQ3 0.426829 0.8125
72 2B6 0.426829 0.662162
73 MPM 0.414286 0.75
74 F0G 0.414286 0.762712
75 PLP 2TL 0.410959 0.85
76 KOU 0.408451 0.8
77 PLP SEP 0.405405 0.85
78 PLP BH2 0.405405 0.85
79 SEP PLP 0.405405 0.85
80 HCP 0.402778 0.741935
81 LEU PLP 0.4 0.822581
82 Z98 0.4 0.777778
83 PFM 0.4 0.770492
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3BS8; Ligand: PMP; Similar sites found with APoc: 94
This union binding pocket(no: 1) in the query (biounit: 3bs8.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 2Z9V PXM 1.02041
2 2FYF PLP 1.25628
3 1LC8 33P 1.92308
4 3VP6 HLD 2.05479
5 1GCK ASP PLP 2.07792
6 5K8B PDG 2.23325
7 1PMO PLR 2.28311
8 1JS3 PLP 142 2.28311
9 2OGA PGU 2.50627
10 3DR4 G4M 2.55754
11 6EWR PMP 2.57611
12 5NM7 GLY 2.63158
13 1M32 PLP 2.73224
14 4ZAH T5K 2.77778
15 4WXG 2BO 2.80374
16 2Q0D ATP 2.83286
17 1DJ9 KAM 2.86458
18 4HVK PMP 2.87958
19 6CD1 PLS 2.96804
20 6CD1 PLG 2.96804
21 5W19 9TD 2.96804
22 2B56 U5P 2.96804
23 2B56 UTP 2.96804
24 5W71 9YM 3.19635
25 5W71 PLP 3.19635
26 3FRK TQP 3.21716
27 1B9I PXG 3.35052
28 3ZRR PXG 3.38542
29 5GVL GI8 3.42466
30 5GVL PLG 3.42466
31 5U23 TQP 3.66492
32 1K4M CIT 3.75587
33 1O69 X04 4.56853
34 3B8X G4M 4.87179
35 4LNL PLG 5.1051
36 4LNL 2BO 5.1051
37 4LNL 2BK 5.1051
38 1DFO PLG 5.27578
39 1U08 PLP 5.44041
40 5W70 9YM 5.8427
41 1MDZ PLP 5.85242
42 1MDZ DCS 5.85242
43 2FNU PMP UD1 6.13333
44 1FWV SGA MAG FUC 6.71642
45 5TXR PLP 6.84932
46 3PD6 PMP 6.98254
47 3PDB PMP 6.98254
48 4K2M O1G 7.07763
49 1OXO IK2 7.23192
50 1FC4 AKB PLP 9.22693
51 5M3Z NLE 9.29648
52 5M3Z PY6 9.29648
53 5M3Z PLP 9.29648
54 1LW4 PLP 9.51009
55 1LW4 TLP 9.51009
56 5X2Z 3LM 9.799
57 5X30 7XF 9.799
58 5X30 4LM 9.799
59 3NUB UD0 11.1421
60 1VJO PLP 11.1959
61 1E5F PLP 14.3564
62 4JCA CIT 14.3713
63 5DDW 5B6 16.21
64 3WGC PLG 16.7155
65 6DND PLP 18.7348
66 2WK9 PLG 18.7661
67 2WK9 PLP 18.7661
68 2XBN PMP 21.5457
69 4ZSY RW2 23.7443
70 2CJH AKG 24.0535
71 4BA5 PXG 28.7671
72 3A8U PLP 33.4076
73 6FYQ PLP 34.0183
74 2OAT PFM 34.0183
75 6CBN OZY 34.2466
76 5G09 6DF 34.7032
77 5G4J EXT 34.7032
78 1ZC9 PMP 35.1039
79 4UOX PLP 35.8447
80 4UOX PUT 35.8447
81 4UOX PLP PUT 35.8447
82 5WYF ILP 36.5297
83 2R5C C6P 36.8298
84 2R5E QLP 36.8298
85 6CBO DOW 36.9021
86 4B98 PXG 37.2768
87 1MLY ACZ PLP 37.9953
88 4UHO PLP 38.1279
89 5KGS 6SR 38.5845
90 4E3Q PMP 39.2694
91 1SFF IK2 39.4366
92 4ADC PLP 40.6404
93 2YKX AKG 47.2603
94 4AOA IK2 48.8584
Pocket No.: 2; Query (leader) PDB : 3BS8; Ligand: PMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3bs8.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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