Receptor
PDB id Resolution Class Description Source Keywords
2C81 1.7 Å EC: 2.6.1.- CRYSTAL STRUCTURES OF THE PLP- AND PMP-BOUND FORMS OF BTRR, A DUAL FUNCTIONAL AMINOTRANSFERASE INVOLVED IN BUTIROSIN B IOSYNTHESIS. BACILLUS CIRCULANS AMINOTRANSFERASE SMAT BUTIROSIN AMINOGLYCOSIDE ANTIBIOTICS TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF THE PLP- AND PMP-BOUND FORMS OF BTRR, A DUAL FUNCTIONAL AMINOTRANSFERASE INVOLVED IN BUTIROSIN BIOSYNTHESIS PROTEINS: STRUCT., FUNCT., V. 65 220 2006 BIOINF.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PMP A:1416;
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
5W71 2.1 Å EC: 2.6.1.- X-RAY STRUCTURE OF BTRR FROM BACILLUS CIRCULANS IN THE PRESE 2-DOS EXTERNAL ALDIMINE BACILLUS CIRCULANS BUTIROSIN AMINOTRANSFERASE AMINOGLYCOSIDE AMINOCYCLITOL ANTIBIOTIC TRANSFERASE
Ref.: THE STRUCTURE OF RBMB FROM STREPTOMYCES RIBOSIDIFIC AMINOTRANSFERASE INVOLVED IN THE BIOSYNTHESIS OF RIBOSTAMYCIN. PROTEIN SCI. V. 26 1886 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2C81 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
2 5W71 - 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 5 families.
1 2C81 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
2 5W71 - PLP C8 H10 N O6 P Cc1c(c(c(c....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 2C81 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
2 5W71 - PLP C8 H10 N O6 P Cc1c(c(c(c....
3 5W70 - 9YM C14 H24 N3 O8 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PMP; Similar ligands found: 78
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 2BO 0.553846 0.881356
9 TLP 0.553846 0.881356
10 2BK 0.553846 0.881356
11 PP3 0.546875 0.881356
12 PDA 0.546875 0.881356
13 PDD 0.546875 0.881356
14 ILP 0.544118 0.852459
15 33P 0.538462 0.896552
16 IK2 0.538462 0.825397
17 5PA 0.530303 0.825397
18 PLS 0.530303 0.866667
19 PMH 0.530303 0.742857
20 PLP 0.527273 0.767857
21 C6P 0.522388 0.866667
22 PPD 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 CBA 0.5 0.83871
35 PGU 0.5 0.83871
36 7TS 0.5 0.702703
37 EA5 0.5 0.828125
38 3LM 0.5 0.787879
39 PDG 0.5 0.83871
40 7XF 0.5 0.83871
41 9YM 0.493151 0.868852
42 LCS 0.492958 0.675676
43 PMG 0.492958 0.787879
44 DCS 0.492958 0.712329
45 76U 0.486111 0.825397
46 PY6 0.486111 0.787879
47 PL4 0.48 0.854839
48 PSZ 0.479452 0.8
49 N5F 0.479452 0.825397
50 4LM 0.462687 0.725806
51 0JO 0.462687 0.714286
52 AN7 0.461538 0.741379
53 PXG 0.460526 0.866667
54 RW2 0.460526 0.8
55 FOO 0.454545 0.75
56 PL8 0.454545 0.732394
57 GLY PLP 0.454545 0.779661
58 NPL 0.45 0.898305
59 KAM 0.448718 0.825397
60 1D0 0.444444 0.8
61 7B9 0.443038 0.764706
62 2B1 0.443038 0.690141
63 P3D 0.442857 0.85
64 PLP SER 0.441176 0.779661
65 EPC 0.439394 0.789474
66 MP5 0.438596 0.728814
67 EXT 0.432836 0.79661
68 PLP PMP 0.432836 0.770492
69 AQ3 0.426829 0.8125
70 2B6 0.426829 0.662162
71 PLP ALO 0.422535 0.833333
72 MPM 0.414286 0.75
73 KOU 0.408451 0.8
74 SER PLP 0.402778 0.813559
75 HCP 0.402778 0.741935
76 PLP 2TL 0.402778 0.79661
77 Z98 0.4 0.777778
78 PFM 0.4 0.770492
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5W71; Ligand: 9YM; Similar sites found: 85
This union binding pocket(no: 1) in the query (biounit: 5w71.bio1) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1MLY ACZ PLP 0.009967 0.41977 1.3986
2 4UHO PLP 0.002817 0.47726 1.59091
3 2FYF PLP 0.008481 0.44629 1.75879
4 4BA5 PXG 0.0005292 0.48874 1.81818
5 5G4J EXT 0.002279 0.44981 1.81818
6 1OXO IK2 0.0003036 0.41716 1.99501
7 4YIW NCD 0.03881 0.41554 2.04545
8 5LTJ BEF 0.03722 0.4154 2.04545
9 3EI9 PL6 0.00789 0.4124 2.27273
10 1PMO PLR 0.004199 0.45323 2.5
11 1AJS PLA 0.00177 0.44062 2.6699
12 3B1E P1T 0.03266 0.40431 2.80612
13 3WGC PLG 0.0004214 0.49355 2.93255
14 4ZM4 PLP 0.0006663 0.48875 2.95455
15 4AOA IK2 0.002112 0.45944 2.95455
16 4JE5 PLP 0.006661 0.44732 2.95455
17 4JE5 PMP 0.007774 0.44381 2.95455
18 4B98 PXG 0.009492 0.42409 2.95455
19 4ZM4 P3B 0.01762 0.4052 2.95455
20 2R2N PMP 0.001165 0.48157 3.05882
21 4ZSY RW2 0.004918 0.42747 3.18182
22 1PCA CIT 0.04039 0.42656 3.22581
23 1WYV PLP AOA 0.007377 0.42933 3.40909
24 5DJ3 5DK 0.007807 0.42475 3.45745
25 4RKC PMP 0.001089 0.47813 3.51759
26 3BWN PMP 0.001223 0.4805 3.58056
27 3BWN PMP PHE 0.007177 0.42006 3.58056
28 2HHP FLC 0.04861 0.43154 3.63636
29 4ADC PLP 0.006638 0.41566 3.69458
30 4WXG 2BO 0.0009797 0.45177 3.73832
31 3CQ5 PMP 0.005872 0.45981 3.79404
32 4UOX PLP 0.000704 0.4927 3.86364
33 4UOX PUT 0.007533 0.43249 3.86364
34 4UOX PLP PUT 0.0132 0.41722 3.86364
35 2X5F PLP 0.0007579 0.49649 3.95349
36 1JS3 PLP 142 0.01531 0.411 4.54545
37 2HOX P1T 0.01504 0.41137 4.68384
38 1K7T NAG GAL 0.03261 0.40098 4.83871
39 2ZL4 ALA ALA ALA ALA 0.0443 0.41141 5.10204
40 5TDC NMM ILE PHE SER 0.03141 0.41542 5.26316
41 4E3Q PMP 0.0003338 0.51502 5.45455
42 1M32 PLP 0.02022 0.42934 5.46448
43 5IWQ PLP 0.002654 0.46337 5.76037
44 5DDW 5B6 0.001654 0.4488 6.13636
45 1UU1 PMP HSA 0.008568 0.41659 6.56716
46 2OAT PFM 0.02532 0.40359 6.83371
47 1SFF IK2 0.003709 0.43637 7.04225
48 1ZC9 PMP 0.001 0.46655 7.04545
49 1DJ9 KAM 0.0005001 0.48993 7.29167
50 2WK9 PLP 0.004021 0.40893 7.45501
51 2WK9 PLG 0.00502 0.40055 7.45501
52 3PD6 PMP 0.0001149 0.53911 7.98005
53 3PDB PMP 0.0002322 0.5172 7.98005
54 5LUN OGA 0.04402 0.40422 9.375
55 1FC4 AKB PLP 0.002487 0.44804 9.47631
56 5X30 4LM 0.0009994 0.47082 10.3015
57 5X30 7XF 0.00102 0.46616 10.3015
58 5X2Z 3LM 0.003956 0.41964 10.3015
59 4IYO 0JO 0.002739 0.44242 10.5793
60 4IY7 0JO 0.00291 0.44121 10.5793
61 4IY7 KOU 0.003065 0.44018 10.5793
62 3E2Y PMP 0.0008181 0.48938 10.7317
63 5WYF ILP 0.004307 0.43339 10.9091
64 2R5E QLP 0.005324 0.42916 11.4219
65 2R5C C6P 0.006275 0.42588 11.4219
66 1XI9 PLP 0.01546 0.43232 12.3153
67 2X5D PLP 0.04612 0.40964 13.835
68 4RJD TFP 0.03504 0.41239 15.1515
69 1GCK ASP PLP 0.003469 0.43771 16.6234
70 2ZC0 PMP 0.0002267 0.50157 16.9533
71 1ELU PDA 0.007694 0.42505 19.7436
72 2FNU PMP UD1 0.000006293 0.4961 30.4
73 2PO3 T4K 0.000007458 0.50058 32.3113
74 5K8B PDG 0.00000000115 0.71736 34.4913
75 1O69 X04 0.000000000007288 0.63118 36.2944
76 1MDZ PLP 0.000009034 0.50496 38.4224
77 1MDZ DCS 0.000007914 0.50334 38.4224
78 3NUB UD0 0.0000002496 0.56905 38.4401
79 4K2M O1G 0.000000001179 0.71689 39.5455
80 3B8X G4M 0.000002201 0.52014 40.2564
81 4ZAH T5K 0.0000004246 0.57513 40.6566
82 3FRK TQP 0.00000004125 0.59924 41.2869
83 2OGA PGU 0.00000002039 0.66976 42.3559
84 5U23 TQP 0.0000002191 0.57123 43.9791
85 3DR4 G4M 0.000003323 0.49893 48.0818
Pocket No.: 2; Query (leader) PDB : 5W71; Ligand: PLP; Similar sites found: 87
This union binding pocket(no: 2) in the query (biounit: 5w71.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1MLY ACZ PLP 0.0006623 0.42437 1.3986
2 4UHO PLP 0.0007161 0.47689 1.59091
3 1DFO PLG 0.0001472 0.47954 1.67866
4 2FYF PLP 0.002166 0.44705 1.75879
5 4BA5 PXG 0.0001234 0.4835 1.81818
6 5G4J EXT 0.0006477 0.4386 1.81818
7 5LTJ BEF 0.01463 0.41215 2.04545
8 4YIW NCD 0.02202 0.40264 2.04545
9 3EI9 PL6 0.0009345 0.41074 2.27273
10 1PMO PLR 0.001318 0.44707 2.5
11 1AJS PLA 0.0002865 0.42857 2.6699
12 3B1E P1T 0.009922 0.40215 2.80612
13 3WGC PLG 0.00007226 0.49386 2.93255
14 4DOE CBK 0.01321 0.4172 2.94737
15 4ZM4 PLP 0.0001366 0.48714 2.95455
16 4AOA IK2 0.000697 0.44998 2.95455
17 4JE5 PLP 0.003195 0.43376 2.95455
18 4JE5 PMP 0.003403 0.43245 2.95455
19 4B98 PXG 0.003675 0.41387 2.95455
20 4ZM4 P3B 0.003338 0.40319 2.95455
21 2R2N PMP 0.0003665 0.47304 3.05882
22 4ZSY RW2 0.0007679 0.4236 3.18182
23 1K4M CIT 0.03422 0.4018 3.28639
24 1WYV PLP AOA 0.00269 0.41978 3.40909
25 5DJ3 5DK 0.0015 0.42396 3.45745
26 4RKC PMP 0.0003284 0.46976 3.51759
27 3BWN PMP 0.0002877 0.47795 3.58056
28 3BWN PMP PHE 0.001104 0.41787 3.58056
29 2HHP FLC 0.01725 0.45072 3.63636
30 4ADC PLP 0.0002857 0.4781 3.69458
31 4WXG 2BO 0.0001892 0.43195 3.73832
32 3CQ5 PMP 0.003553 0.44174 3.79404
33 4UOX PLP 0.0001362 0.49313 3.86364
34 4UOX PUT 0.002348 0.42646 3.86364
35 4UOX PLP PUT 0.004195 0.41136 3.86364
36 2X5F PLP 0.0005125 0.47185 3.95349
37 1WB4 SXX 0.004268 0.44053 4.0404
38 1JS3 PLP 142 0.003592 0.40774 4.54545
39 1W6F ISZ 0.02131 0.40558 4.67626
40 2HOX P1T 0.005009 0.40308 4.68384
41 3FQ8 PMP 0.00096 0.44936 4.77273
42 5TDC NMM ILE PHE SER 0.009271 0.41777 5.26316
43 4E3Q PMP 0.00008558 0.50909 5.45455
44 1M32 PLP 0.005111 0.43418 5.46448
45 5IWQ PLP 0.0006446 0.46158 5.76037
46 5DDW 5B6 0.0009071 0.41888 6.13636
47 1UU1 PMP HSA 0.002135 0.40798 6.56716
48 1SFF IK2 0.0006784 0.43086 7.04225
49 1ZC9 PMP 0.0001537 0.46467 7.04545
50 1DJ9 KAM 0.0001515 0.47952 7.29167
51 2WK9 PLP 0.0001198 0.40669 7.45501
52 3PD6 PMP 0.00003108 0.53016 7.98005
53 3PDB PMP 0.00004272 0.51666 7.98005
54 5LUN OGA 0.01232 0.40559 9.375
55 1FC4 AKB PLP 0.0007204 0.43745 9.47631
56 5X30 4LM 0.0003756 0.45707 10.3015
57 5X30 7XF 0.0002782 0.45536 10.3015
58 5X2Z 3LM 0.0003937 0.4138 10.3015
59 4IY7 KOU 0.001272 0.42291 10.5793
60 4IY7 0JO 0.001342 0.42165 10.5793
61 4IYO 0JO 0.00136 0.42139 10.5793
62 3E2Y PMP 0.0002567 0.48027 10.7317
63 5WYF ILP 0.001138 0.42171 10.9091
64 2R5E QLP 0.001546 0.41806 11.4219
65 2R5C C6P 0.001969 0.41383 11.4219
66 1LW4 TLP 0.0001815 0.47323 11.5274
67 1LW4 PLP 0.0001198 0.47127 11.5274
68 1XI9 PLP 0.00645 0.42372 12.3153
69 2X5D PLP 0.01819 0.40565 13.835
70 4RJD TFP 0.01204 0.41239 15.1515
71 1GCK ASP PLP 0.0007729 0.43034 16.6234
72 2ZC0 PMP 0.00006841 0.4893 16.9533
73 1ELU PDA 0.001543 0.42419 19.7436
74 2FNU PMP UD1 0.000000001279 0.50615 30.4
75 2PO3 T4K 0.00000001626 0.4919 32.3113
76 5K8B PDG 0.000000000009419 0.70788 34.4913
77 1O69 X04 0.00000001191 0.43205 36.2944
78 1MDZ PLP 0.00000001651 0.50325 38.4224
79 1MDZ DCS 0.00000001837 0.49479 38.4224
80 3NUB UD0 0.00000000003091 0.58653 38.4401
81 4K2M O1G 0.00000000001096 0.70551 39.5455
82 3B8X G4M 0.00000001477 0.49615 40.2564
83 4ZAH T5K 0.000000000471 0.58618 40.6566
84 3FRK TQP 0.00000000006588 0.57691 41.2869
85 2OGA PGU 0.0000000002602 0.66972 42.3559
86 5U23 TQP 0.0000000001755 0.56437 43.9791
87 3DR4 G4M 0.0000000004806 0.49953 48.0818
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