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Receptor
PDB id Resolution Class Description Source Keywords
4M2K 2 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF PLP-DEPENDENT CYCLASE ORFR IN COMPLEX W STREPTOMYCES LAVENDULAE CYCLASE PLP BINDING TRANSFERASE
Ref.: BIOSYNTHESIS OF STREPTOLIDINE INVOLVED TWO UNEXPECT INTERMEDIATES PRODUCED BY A DIHYDROXYLASE AND A CYC THROUGH UNUSUAL MECHANISMS. ANGEW.CHEM.INT.ED.ENGL. V. 53 1943 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLP A:401;
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
4M2K 2 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF PLP-DEPENDENT CYCLASE ORFR IN COMPLEX W STREPTOMYCES LAVENDULAE CYCLASE PLP BINDING TRANSFERASE
Ref.: BIOSYNTHESIS OF STREPTOLIDINE INVOLVED TWO UNEXPECT INTERMEDIATES PRODUCED BY A DIHYDROXYLASE AND A CYC THROUGH UNUSUAL MECHANISMS. ANGEW.CHEM.INT.ED.ENGL. V. 53 1943 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 4M2K - 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 237 families.
1 4M2K - PLP C8 H10 N O6 P Cc1c(c(c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 4M2K - 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 : 4M2K; Ligand: PLP; Similar sites found with APoc: 138
This union binding pocket(no: 1) in the query (biounit: 4m2k.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3KP6 SAL None
2 1MLY ACZ PLP 1.47783
3 4LNL PLG 1.5015
4 4LNL 2BK 1.5015
5 4LNL 2BO 1.5015
6 3L24 GOA 1.72414
7 4WXG 2BO 1.97044
8 2CJH AKG 1.97044
9 3NV3 GAL NAG MAN 2.17391
10 2IHK CSF 2.25564
11 1W0O SIA 2.46305
12 5DDW 5B6 2.46305
13 2PTR 2SA 2.46305
14 1VJO PLP 2.54453
15 4ZSY RW2 2.70936
16 1DFO PLG 2.70936
17 6CZY PMP 2.76243
18 3DER ALA LYS 2.89855
19 5YKT PMP 2.95567
20 1PMO PLR 2.95567
21 6AM8 PLT 3.0303
22 3A8U PLP 3.20197
23 5IFK HPA 3.20513
24 3GDN FAD 3.44828
25 1Y7P RIP 3.58744
26 6CDG PRO GLY LEU TRP LYS SER 3.59281
27 2WK9 PLG 3.59897
28 2WK9 PLP 3.59897
29 1DJ9 KAM 3.64583
30 6CD1 PLG 3.69458
31 6CD1 PLS 3.69458
32 2FYF PLP 3.76884
33 2Z9V PXM 3.82653
34 5IWQ PLP 4.4335
35 2Q4W FAD 4.6798
36 2QRY TPS 4.6798
37 3RYC GTP 4.8951
38 4B98 PXG 4.92611
39 2GJ3 FAD 5
40 2YIP YIO 5.07246
41 6C3C EJ1 5.17241
42 4C3Y FAD 5.17241
43 4BA5 PXG 5.17241
44 4C3Y ANB 5.17241
45 1FC4 AKB PLP 5.23691
46 3WGC PLG 5.27859
47 4UHO PLP 5.41872
48 5T4J PLP ABU 5.47945
49 5KGS 6SR 5.66502
50 3CR3 ADP 5.78512
51 3ZL8 ADP 5.91133
52 5WYF ILP 5.91133
53 2XBN PMP 5.91133
54 4XUR XYP XYP XYP XYP 6.07735
55 4AZJ SEP PLP 6.11111
56 1Z0S ATP 6.11511
57 4ZAH T5K 6.31313
58 5W70 9YM 6.40394
59 3FRK TQP 6.43432
60 4YVZ 3AT 6.6313
61 4IY7 0JO 6.80101
62 4IYO 0JO 6.80101
63 4IY7 KOU 6.80101
64 2PO3 T4K 6.83962
65 1OXO IK2 6.98254
66 3WMX THR 6.98324
67 6ECG PM9 7.14286
68 2TPL HPP 7.14286
69 3PDB PMP 7.23192
70 3PD6 PMP 7.23192
71 1AJS PLA 7.38916
72 6DND PLP 7.63547
73 1ZC9 PMP 7.63547
74 5G09 6DF 7.63547
75 1JS3 PLP 142 7.81893
76 4RKC PMP 8.0402
77 2HOX P1T 8.12808
78 5TXR PLP 8.12808
79 6EWR PMP 8.12808
80 1SFF IK2 8.12808
81 2EAE FUL 8.86699
82 4IVN BMX 8.99281
83 3VP6 HLD 9.1133
84 5W19 9TD 9.35961
85 3ZRR PXG 9.63542
86 3DR4 G4M 9.71867
87 5X2Z 3LM 9.799
88 5X30 4LM 9.799
89 5X30 7XF 9.799
90 1M7Y PPG 9.85222
91 1B9I PXG 10.567
92 5W71 PLP 10.5911
93 5W71 9YM 10.5911
94 5K8B PDG 10.9181
95 6FYQ PLP 11.33
96 4UOX PLP 11.5764
97 4UOX PLP PUT 11.5764
98 4UOX PUT 11.5764
99 1TOI HCI 12.1212
100 3OYW TDG 12.6866
101 3B8X G4M 12.8205
102 4ADC PLP 13.0542
103 3FQ8 PMP 13.3005
104 1WYV PLP AOA 13.7931
105 4HVK PMP 14.3979
106 1E5F PLP 16.0891
107 6C92 EQJ 16.2234
108 6C9B EGV 16.2234
109 6C8T EQJ 16.2234
110 4R5Z SIN 16.8937
111 4R5Z PMP 16.8937
112 1LW4 PLP 17.8674
113 1LW4 TLP 17.8674
114 1LC8 33P 18.1319
115 5VEQ PMP 18.4729
116 4K2M O1G 18.4729
117 4JE5 PLP 19.2118
118 4JE5 PMP 19.2118
119 1CL2 PPG 20.936
120 1ELU PDA 21.7949
121 1ELU CSS 21.7949
122 4FL0 PLP 22.4138
123 1GEX PLP HSA 22.4719
124 3EI9 PL6 22.9064
125 5M3Z PLP 23.1156
126 5M3Z PY6 23.1156
127 5M3Z NLE 23.1156
128 2ZYJ PGU 25.1889
129 2R2N PMP 26.601
130 2R2N KYN 26.601
131 2R5C C6P 30.0493
132 2R5E QLP 30.0493
133 1UU1 PMP HSA 30.4478
134 3CQ5 PMP 31.1653
135 2ZC0 PMP 33.0049
136 1U08 PLP 33.6788
137 1GDE GLU PLP 34.4473
138 1GCK ASP PLP 36.8831
Pocket No.: 2; Query (leader) PDB : 4M2K; 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: 4m2k.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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