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Receptor
PDB id Resolution Class Description Source Keywords
1VJO 1.7 Å EC: 2.6.1.44 CRYSTAL STRUCTURE OF ALANINE--GLYOXYLATE AMINOTRANSFERASE (A FROM NOSTOC SP. AT 1.70 A RESOLUTION NOSTOC SP. 17130350 ALR1004 ALANINE--GLYOXYLATE AMINOTRANSFERASE STRGENOMICS JCSG PSI PROTEIN STRUCTURE INITIATIVE JOINT CESTRUCTURAL GENOMICS TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF AN ALANINE-GLYOXYLATE AMINOTRA FROM ANABAENA SP. AT 1.70 A RESOLUTION REVEALS A NONCOVALENTLY LINKED PLP COFACTOR PROTEINS V. 58 971 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLP A:400;
Valid;
none;
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247.142 C8 H10 N O6 P Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1VJO 1.7 Å EC: 2.6.1.44 CRYSTAL STRUCTURE OF ALANINE--GLYOXYLATE AMINOTRANSFERASE (A FROM NOSTOC SP. AT 1.70 A RESOLUTION NOSTOC SP. 17130350 ALR1004 ALANINE--GLYOXYLATE AMINOTRANSFERASE STRGENOMICS JCSG PSI PROTEIN STRUCTURE INITIATIVE JOINT CESTRUCTURAL GENOMICS TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF AN ALANINE-GLYOXYLATE AMINOTRA FROM ANABAENA SP. AT 1.70 A RESOLUTION REVEALS A NONCOVALENTLY LINKED PLP COFACTOR PROTEINS V. 58 971 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1VJO - 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 4 families.
1 1VJO - 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 1H0C - AOA C2 H5 N O3 C(C(=O)O)O....
2 2HUI - GLV C2 H2 O3 C(=O)C(=O)....
3 2HUU - ALA C3 H7 N O2 C[C@@H](C(....
4 1VJO - 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 : 1VJO; Ligand: PLP; Similar sites found with APoc: 126
This union binding pocket(no: 1) in the query (biounit: 1vjo.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 1OXO IK2 1.27226
2 5KGS 6SR 1.52672
3 4E1O PLP PVH 1.52672
4 1JS3 PLP 142 1.78117
5 5YKT PMP 2.03562
6 5IWQ PLP 2.03562
7 2PEL LBT 2.11864
8 3FRK TQP 2.14477
9 2ZUX RAM 2.19966
10 5WKR NAR 2.24215
11 5W70 9YM 2.24719
12 2PO3 T4K 2.29008
13 2R2N PMP 2.29008
14 3B8X G4M 2.30769
15 4M2K PLP 2.54453
16 3EI9 PL6 2.54453
17 2TPL HPP 2.54453
18 3DR4 G4M 2.55754
19 4AZJ SEP PLP 2.77778
20 4YRD 3IT 2.78552
21 4ZM4 PLP 2.79898
22 4ZM4 P3B 2.79898
23 5DDW 5B6 2.79898
24 2OGA PGU 2.79898
25 1E5F PLP 2.79898
26 4K2M O1G 2.79898
27 5W19 9TD 2.79898
28 1DJ9 KAM 2.86458
29 1PMO PLR 3.05344
30 1DFO PLG 3.05344
31 1MDZ PLP 3.05344
32 1MDZ DCS 3.05344
33 5U23 TQP 3.05344
34 3FQ8 PMP 3.05344
35 4ZAH T5K 3.05344
36 1GCK ASP PLP 3.11688
37 4B98 PXG 3.30789
38 1ZC9 PMP 3.30789
39 4WXG 2BO 3.30789
40 2OAT PFM 3.30789
41 4ADC PLP 3.30789
42 3NUB UD0 3.34262
43 1H74 ILE 3.37838
44 4R5Z SIN 3.54223
45 4R5Z PMP 3.54223
46 6DND PLP 3.56234
47 1AJS PLA 3.56234
48 1B9I PXG 3.60825
49 6C8T EQJ 3.7234
50 6C92 EQJ 3.7234
51 4E3Q PMP 3.81679
52 4NV7 COA 3.84615
53 4YJK URA 3.96825
54 2FNU PMP UD1 4
55 3PDB PMP 4.07125
56 3PD6 PMP 4.07125
57 1U08 PLP 4.14508
58 4ZSY RW2 4.3257
59 4FL0 PLP 4.3257
60 1WB4 SXX 4.3771
61 5GVL PLG 4.58015
62 5GVL GI8 4.58015
63 6CD1 PLS 4.58015
64 6CD1 PLG 4.58015
65 1FC4 AKB PLP 5.08906
66 1MLY ACZ PLP 5.08906
67 3WUC GLC GAL 5.10949
68 3BWN PMP 5.11509
69 3LJU IP9 5.44041
70 6CBO DOW 5.59796
71 3VP6 HLD 5.59796
72 4UHO PLP 5.85242
73 2XBN PMP 5.85242
74 1GEX PLP HSA 5.89888
75 2ZYJ PGU 6.10687
76 5K8B PDG 6.36132
77 2IBN I1N 6.4
78 4BA5 PXG 6.61578
79 6CBN OZY 6.61578
80 2WK9 PLP 7.45501
81 2WK9 PLG 7.45501
82 3WGC PLG 7.62463
83 2FYF PLP 8.14249
84 4HVK PMP 8.37696
85 3A8U PLP 8.90585
86 5W71 9YM 8.90585
87 5W71 PLP 8.90585
88 4AOA IK2 9.03084
89 1CL2 PPG 10.1781
90 5G09 6DF 10.1781
91 4LNL PLG 10.2102
92 4LNL 2BO 10.2102
93 4LNL 2BK 10.2102
94 1M7Y PPG 10.687
95 1UU1 PMP HSA 11.0448
96 3BS8 PMP 11.1959
97 6FYQ PLP 11.9835
98 5X2Z 3LM 12.5628
99 5X30 7XF 12.7226
100 5X30 4LM 12.7226
101 6EWR PMP 13.2316
102 5M3Z NLE 13.8191
103 5M3Z PY6 13.8191
104 5M3Z PLP 13.8191
105 2R5E QLP 13.9949
106 2R5C C6P 13.9949
107 3CQ5 PMP 14.3631
108 1SFF IK2 15.2672
109 1O69 X04 15.5216
110 4UOX PLP 16.285
111 4UOX PUT 16.285
112 4UOX PLP PUT 16.285
113 1WYV PLP AOA 17.0886
114 5VEQ PMP 17.2749
115 2CJH AKG 17.3028
116 1LC8 33P 17.8571
117 6BU0 IHP 18.3206
118 1LW4 PLP 19.0202
119 1LW4 TLP 19.0202
120 5WYF ILP 20.1018
121 5TXR PLP 21.883
122 1ELU PDA 22.0513
123 6CZY PMP 28.7293
124 2Z9V PXM 37.2449
125 1M32 PLP 39.8907
126 3ZRR PXG 46.0938
Pocket No.: 2; Query (leader) PDB : 1VJO; Ligand: PLP; 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: 1vjo.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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