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Receptor
PDB id Resolution Class Description Source Keywords
4UHO 1.24 Å EC: 2.6.1.18 CHARACTERIZATION OF A NOVEL TRANSAMINASE FROM PSEUDOMONAS SP. STRAIN AAC PSEUDOMONAS SP. TRANSFERASE BIOCATALYSIS AMINOTRANSFERASE PYRIDOXAL-5-prime -PH
Ref.: A BETA-ALANINE CATABOLISM PATHWAY CONTAINING A HIGH PROMISCUOUS OMEGA-TRANSAMINASE IN THE 12-AMINODODEC DEGRADING PSEUDOMONAS SP. STRAIN AAC. APPL.ENVIRON.MICROBIOL. V. 82 3846 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1451;
A:1454;
A:1452;
A:1453;
A:1455;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
EOH A:1462;
Invalid;
none;
submit data
46.068 C2 H6 O CCO
EDO A:1458;
A:1457;
A:1459;
A:1456;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
UNL A:1463;
Invalid;
none;
submit data
n/a NULL NULL
PEG A:1461;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
MG A:1449;
A:1450;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
PLP A:1460;
Valid;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4UHO 1.24 Å EC: 2.6.1.18 CHARACTERIZATION OF A NOVEL TRANSAMINASE FROM PSEUDOMONAS SP. STRAIN AAC PSEUDOMONAS SP. TRANSFERASE BIOCATALYSIS AMINOTRANSFERASE PYRIDOXAL-5-prime -PH
Ref.: A BETA-ALANINE CATABOLISM PATHWAY CONTAINING A HIGH PROMISCUOUS OMEGA-TRANSAMINASE IN THE 12-AMINODODEC DEGRADING PSEUDOMONAS SP. STRAIN AAC. APPL.ENVIRON.MICROBIOL. V. 82 3846 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4UHM - PLP C8 H10 N O6 P Cc1c(c(c(c....
2 4UHN - PLP C8 H10 N O6 P Cc1c(c(c(c....
3 4UHO - PLP C8 H10 N O6 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 3 families.
1 4UHM - PLP C8 H10 N O6 P Cc1c(c(c(c....
2 4UHN - PLP C8 H10 N O6 P Cc1c(c(c(c....
3 4UHO - PLP C8 H10 N O6 P Cc1c(c(c(c....
4 4BQ0 - PLP C8 H10 N O6 P Cc1c(c(c(c....
5 4B9B - PLP C8 H10 N O6 P Cc1c(c(c(c....
6 4B98 - PXG C15 H17 N2 O7 P Cc1c(c(c(c....
7 3A8U - PLP C8 H10 N O6 P Cc1c(c(c(c....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4UHM - PLP C8 H10 N O6 P Cc1c(c(c(c....
2 4UHN - PLP C8 H10 N O6 P Cc1c(c(c(c....
3 4UHO - PLP C8 H10 N O6 P Cc1c(c(c(c....
4 4BQ0 - PLP C8 H10 N O6 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PLP; Similar ligands found: 62
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 F0G 0.564516 0.865385
12 MPM 0.564516 0.814815
13 FEV 0.555556 0.803571
14 KOU 0.555556 0.836364
15 HCP 0.546875 0.77193
16 EVM 0.546875 0.821429
17 6DF 0.545455 0.811321
18 PXL 0.541667 0.659574
19 Z98 0.537313 0.75
20 PXP 0.537037 0.862745
21 PMP 0.527273 0.767857
22 P0P 0.527273 0.916667
23 PL6 0.522388 0.818182
24 GT1 0.517857 0.830189
25 PFM 0.514706 0.803571
26 FEJ 0.514706 0.851852
27 LLP 0.5 0.737705
28 P70 0.5 0.833333
29 PUS 0.479452 0.707692
30 PL5 0.479452 0.775862
31 MPL 0.473684 0.836364
32 PLG 0.46875 0.75
33 IN5 0.46875 0.758621
34 P89 0.466667 0.714286
35 PLP PUT 0.463768 0.672131
36 EQJ 0.460526 0.725806
37 5DK 0.460526 0.725806
38 O1G 0.454545 0.75
39 PLT 0.439024 0.762712
40 X04 0.431034 0.851852
41 PDD 0.426471 0.762712
42 PP3 0.426471 0.762712
43 PDA 0.426471 0.762712
44 P1T 0.426471 0.714286
45 33P 0.42029 0.745763
46 IK2 0.42029 0.714286
47 TLP 0.414286 0.793103
48 2BK 0.414286 0.793103
49 PLS 0.414286 0.779661
50 2BO 0.414286 0.793103
51 5PA 0.414286 0.714286
52 PMH 0.414286 0.619718
53 9TD 0.413793 0.671642
54 PLP 999 0.410959 0.796296
55 PPD 0.408451 0.75
56 C6P 0.408451 0.75
57 QLP 0.405405 0.681818
58 MP5 0.403509 0.666667
59 PLA 0.402778 0.703125
60 PY5 0.402778 0.703125
61 HEY 0.4 0.703125
62 PLP PHE 0.4 0.732143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4UHO; Ligand: PLP; Similar sites found with APoc: 125
This union binding pocket(no: 1) in the query (biounit: 4uho.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5W71 9YM 1.59091
2 5W71 PLP 1.59091
3 1JGT CMA 1.7094
4 1JGT APC 1.7094
5 1PMO PLR 1.71674
6 1AJS PLA 1.94175
7 6DND PLP 1.94647
8 1MDZ PLP 2.03562
9 1MDZ DCS 2.03562
10 1M32 PLP 2.18579
11 3NUB UD0 2.22841
12 4BNU 9KQ 2.23048
13 5GVL PLG 2.26244
14 5GVL GI8 2.26244
15 1B9I PXG 2.31959
16 4E1O PLP PVH 2.35043
17 1LC8 33P 2.47253
18 5X30 7XF 2.51256
19 5X2Z 3LM 2.51256
20 5X30 4LM 2.51256
21 1GEX PLP HSA 2.52809
22 5W70 9YM 2.69663
23 2JK0 ASP 2.76923
24 6EWR PMP 2.8103
25 5TXR PLP 2.99145
26 2R5C C6P 3.0303
27 2R5E QLP 3.0303
28 5BYK OAQ 3.0888
29 5BYK A3P 3.0888
30 5VEQ PMP 3.16302
31 6C92 EQJ 3.19149
32 6C8T EQJ 3.19149
33 6C9B EGV 3.19149
34 3VP6 HLD 3.20513
35 6CZY PMP 3.20513
36 1QK3 5GP 3.43348
37 1TOI HCI 3.53535
38 2XBN PMP 3.74707
39 4LNL 2BK 3.9039
40 4LNL 2BO 3.9039
41 4LNL PLG 3.9039
42 3ZRR PXG 3.90625
43 4HVK PMP 3.9267
44 4AZJ SEP PLP 4.16667
45 6CD1 PLG 4.17582
46 6CD1 PLS 4.17582
47 4WXG 2BO 4.20561
48 1OXO IK2 4.2394
49 1WVC CTP 4.2471
50 3FRK TQP 4.28954
51 5U23 TQP 4.45026
52 3DR4 G4M 4.60358
53 1U08 PLP 4.66321
54 1V35 NAI 4.86322
55 2X5F PLP 4.88372
56 1LW4 TLP 4.89914
57 1LW4 PLP 4.89914
58 1TMO 2MD 4.91453
59 3B8X G4M 5.12821
60 2OGA PGU 5.12821
61 5W19 9TD 5.13919
62 2DT5 NAD 5.21327
63 2Z9V PXM 5.35714
64 4M2K PLP 5.41872
65 2ZC0 PMP 5.65111
66 4JBI NDP 5.67568
67 1VJO PLP 5.85242
68 1JS3 PLP 142 6.17284
69 2PO3 T4K 6.36792
70 1E5F PLP 6.43564
71 4K2M O1G 6.54628
72 4ZAH T5K 6.56566
73 1DFO PLG 6.71463
74 2FYF PLP 6.78392
75 4F8L AES 6.89655
76 1M7Y PPG 6.89655
77 1DJ9 KAM 7.03125
78 4IY7 0JO 7.0529
79 4IYO 0JO 7.0529
80 4IY7 KOU 7.0529
81 6C3C EJ1 7.26392
82 1FC4 AKB PLP 7.73067
83 2FNU PMP UD1 7.73333
84 5TIV A3P 7.90514
85 2WK9 PLG 8.99743
86 2WK9 PLP 8.99743
87 3PD6 PMP 9.47631
88 3PDB PMP 9.47631
89 2IZ1 ATR 9.61539
90 3WGC PLG 9.97067
91 5K8B PDG 10.67
92 5M3Z PLP 10.804
93 5M3Z NLE 10.804
94 5M3Z PY6 10.804
95 1GCK ASP PLP 11.1688
96 1J2J GTP 13.3333
97 5X80 SAL 15
98 1PNO NAP 15
99 5YKT PMP 15.4013
100 5DDW 5B6 16.0256
101 1O69 X04 17.7665
102 2J59 GTP 20.2381
103 6CBN OZY 24.6575
104 6CBO DOW 26.4237
105 4ZSY RW2 26.7094
106 4ZM4 P3B 29.9776
107 4ZM4 PLP 29.9776
108 4UOX PLP 33.1906
109 4UOX PUT 33.1906
110 4UOX PLP PUT 33.1906
111 2YKX AKG 35.2688
112 3FQ8 PMP 35.5972
113 2CJH AKG 36.5256
114 1SFF IK2 37.3239
115 3BS8 PMP 38.1279
116 1ZC9 PMP 40.1848
117 5G4J EXT 40.8072
118 2OAT PFM 43.7358
119 5G09 6DF 44.0171
120 5WYF ILP 44.1558
121 4AOA IK2 44.4934
122 4ADC PLP 45.5665
123 4E3Q PMP 45.9402
124 1MLY ACZ PLP 46.3869
125 5KGS 6SR 49.2341
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