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Receptor
PDB id Resolution Class Description Source Keywords
2OAT 1.95 Å EC: 2.6.1.13 ORNITHINE AMINOTRANSFERASE COMPLEXED WITH 5-FLUOROMETHYLORNI HOMO SAPIENS AMINOTRANSFERASE 5-FLUOROMETHYLORNITHINE PLP-DEPENDENT ENZPYRIDOXAL PHOSPHATE
Ref.: CRYSTAL STRUCTURE OF HUMAN ORNITHINE AMINOTRANSFERA COMPLEXED WITH THE HIGHLY SPECIFIC AND POTENT INHIB 5-FLUOROMETHYLORNITHINE. J.MOL.BIOL. V. 285 297 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PFM A:440;
B:440;
C:440;
Valid;
Valid;
Valid;
none;
none;
none;
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374.283 C14 H19 N2 O8 P Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2OAT 1.95 Å EC: 2.6.1.13 ORNITHINE AMINOTRANSFERASE COMPLEXED WITH 5-FLUOROMETHYLORNI HOMO SAPIENS AMINOTRANSFERASE 5-FLUOROMETHYLORNITHINE PLP-DEPENDENT ENZPYRIDOXAL PHOSPHATE
Ref.: CRYSTAL STRUCTURE OF HUMAN ORNITHINE AMINOTRANSFERA COMPLEXED WITH THE HIGHLY SPECIFIC AND POTENT INHIB 5-FLUOROMETHYLORNITHINE. J.MOL.BIOL. V. 285 297 1999
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GBN - GBC PLP n/a n/a
2 2CAN - CAN PLP n/a n/a
3 2OAT - PFM C14 H19 N2 O8 P Cc1c(c(c(c....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GBN - GBC PLP n/a n/a
2 2CAN - CAN PLP n/a n/a
3 2OAT - PFM C14 H19 N2 O8 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 1 families.
1 1GBN - GBC PLP n/a n/a
2 2CAN - CAN PLP n/a n/a
3 2OAT - PFM C14 H19 N2 O8 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PFM; Similar ligands found: 36
No: Ligand ECFP6 Tc MDL keys Tc
1 PFM 1 1
2 AN7 0.628571 0.839286
3 FOO 0.619718 0.877193
4 Z98 0.55 0.868852
5 KOU 0.525641 0.803279
6 LLP 0.517647 0.854839
7 PL5 0.517647 0.898305
8 PLP 0.514706 0.803571
9 F0G 0.512821 0.827586
10 PZP 0.507246 0.775862
11 PUS 0.5 0.764706
12 0JO 0.5 0.864407
13 4LM 0.5 0.847458
14 FEV 0.4875 0.833333
15 5DK 0.483146 0.8125
16 EQJ 0.483146 0.8125
17 PL6 0.481928 0.847458
18 EVM 0.481481 0.790323
19 FEJ 0.47619 0.786885
20 EPC 0.461538 0.793103
21 MPM 0.45679 0.783333
22 P70 0.449438 0.830508
23 EXT 0.4375 0.770492
24 P3D 0.428571 0.765625
25 P0P 0.418919 0.77193
26 6DF 0.413793 0.75
27 PL4 0.413043 0.828125
28 HCP 0.411765 0.746032
29 P89 0.408602 0.671429
30 PLR 0.408451 0.754386
31 PXP 0.405405 0.704918
32 PDA 0.404762 0.793651
33 PP3 0.404762 0.793651
34 PDD 0.404762 0.793651
35 PLT 0.40404 0.793651
36 PMP 0.4 0.770492
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2OAT; Ligand: PFM; Similar sites found with APoc: 92
This union binding pocket(no: 1) in the query (biounit: 2oat.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1ONI BEZ None
2 3AB1 FAD 1.66667
3 3NUB UD0 1.67131
4 3WXM GTP 2.05011
5 3WGC PLG 2.05279
6 3ZRR PXG 2.08333
7 4ZAH T5K 2.27273
8 2CJA ATP 2.2779
9 1T9D P22 2.2779
10 2WZF BGC 2.2779
11 6CD1 PLS 2.73349
12 6CD1 PLG 2.73349
13 1FDJ 13P 2.75482
14 3VP6 HLD 2.96128
15 1VJO PLP 3.30789
16 2Y7P SAL 3.66972
17 5K8B PDG 3.72208
18 4X28 FDA 3.75335
19 3L6R MLI 3.75723
20 2Y91 98J 3.77358
21 3B8X G4M 3.84615
22 1O69 X04 3.87244
23 5C2F JTH 3.95683
24 5TXR PLP 4.10023
25 4LNL PLG 4.2042
26 4LNL 2BO 4.2042
27 4LNL 2BK 4.2042
28 4TR9 38D 4.33604
29 4WXG 2BO 4.6729
30 5U23 TQP 4.71204
31 1IZC PYR 4.71976
32 5W70 9YM 4.7836
33 3MMH SME 4.79042
34 3L6C MLI 5.30973
35 1F76 ORO 5.35714
36 3ZFD ANP 5.41311
37 1M32 PLP 5.7377
38 2RHW C0E 6.00707
39 1TX4 ALF GDP 6.21469
40 1DFO PLG 6.23501
41 4NCN GTP 6.83371
42 5W71 9YM 6.83371
43 2OGA PGU 7.01754
44 2Z9V PXM 7.39796
45 3FRK TQP 7.5067
46 4F8L AES 8.96552
47 3ZJQ NCA 9.23077
48 2C5L GTP 9.24856
49 2UVO NAG 9.35672
50 2UVO NDG 9.35672
51 5ZZO FLC 9.95025
52 5GVL PLG 10.7062
53 5GVL GI8 10.7062
54 3BY8 MLT 11.9718
55 5O2T GSP 12.2995
56 3DR4 G4M 13.0435
57 2WK9 PLG 16.4524
58 2WK9 PLP 16.4524
59 4K2M O1G 17.5399
60 6CBN OZY 22.3744
61 6CBO DOW 23.0068
62 5DDW 5B6 23.2346
63 1LW4 TLP 25.9366
64 1LW4 PLP 25.9366
65 5YKT PMP 28.7016
66 4ZM4 P3B 29.1572
67 4ZM4 PLP 29.1572
68 2YKX AKG 30.0683
69 3BS8 PMP 34.0183
70 3FQ8 PMP 35.8314
71 5G09 6DF 36.2187
72 4AOA IK2 38.9522
73 4ZSY RW2 39.18
74 2CJH AKG 39.6355
75 5KGS 6SR 40.919
76 4E3Q PMP 42.1412
77 3DXW ICC 42.8246
78 4BA5 PXG 43.2802
79 4UHO PLP 43.7358
80 3A8U PLP 44.4191
81 4B98 PXG 44.8747
82 1ZC9 PMP 45.0346
83 4ADC PLP 46.3054
84 6FYQ PLP 46.697
85 4UOX PLP PUT 47.1526
86 4UOX PUT 47.1526
87 4UOX PLP 47.1526
88 5G4J EXT 47.3804
89 1MLY ACZ PLP 48.2517
90 5WYF ILP 48.2916
91 3DU4 KAP 49.2027
92 1SFF IK2 49.2958
Pocket No.: 2; Query (leader) PDB : 2OAT; Ligand: PFM; Similar sites found with APoc: 11
This union binding pocket(no: 2) in the query (biounit: 2oat.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1A8S PPI 2.5641
2 5G6U YJM 3.06513
3 5NM7 GLY 3.38346
4 5M3Z NLE 4.0201
5 5M3Z PY6 4.0201
6 5M3Z PLP 4.0201
7 1E5F PLP 4.70297
8 3P7G MAN 5.47945
9 5X2Z 3LM 6.53266
10 5W71 PLP 6.83371
11 1DJ9 KAM 27.3438
Pocket No.: 3; Query (leader) PDB : 2OAT; Ligand: PFM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2oat.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2OAT; Ligand: PFM; Similar sites found with APoc: 25
This union binding pocket(no: 4) in the query (biounit: 2oat.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 1ITZ TPP 1.36674
2 2PT9 2MH 1.86916
3 2PT9 S4M 1.86916
4 1XRO LEU 2.04778
5 2I7C AAT 2.12014
6 2FNU PMP UD1 2.13333
7 5E70 RCD 2.2779
8 2R5N R5P 2.96128
9 2R5N RP5 2.96128
10 2R5N TPP 2.96128
11 4RD0 GDP 3.13253
12 1B9I PXG 3.35052
13 5CIC 51R 3.40136
14 1KC7 PPR 3.64465
15 2WBV SIA 3.7037
16 4LXH C1E 3.97112
17 5W19 9TD 4.32802
18 5EOO CIT 5.28302
19 4J56 FAD 6.14035
20 1SLT NDG GAL 7.46269
21 4TMZ GSP 7.53623
22 1JQ3 AAT 7.77027
23 2Q1A 2KT 7.84983
24 3FXU TSU 7.86885
25 1FC4 AKB PLP 10.2244
Pocket No.: 5; Query (leader) PDB : 2OAT; Ligand: PFM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2oat.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2OAT; Ligand: PFM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2oat.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2OAT; Ligand: PFM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2oat.bio3) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2OAT; Ligand: PFM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2oat.bio3) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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