Receptor
PDB id Resolution Class Description Source Keywords
2CAN 2.3 Å EC: 2.6.1.13 HUMAN ORNITHINE AMINOTRANSFERASE COMPLEXED WITH L-CANALINE HOMO SAPIENS TRANSFERASE ORNITHINE AMINOTRANSFERASE UREA CYCLE PYRIDOXPHOSPHATE
Ref.: HUMAN ORNITHINE AMINOTRANSFERASE COMPLEXED WITH L-C AND GABACULINE: STRUCTURAL BASIS FOR SUBSTRATE RECO STRUCTURE V. 5 1067 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CAN PLP A:1;
B:1;
C:1;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
363.263 n/a [P+](...
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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: CAN PLP; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 CAN PLP 1 1
2 PLP ALO 0.589744 0.818182
3 TZA PLP 0.58427 0.835821
4 PLP 2KZ 0.54321 0.818182
5 IK2 0.5375 0.923077
6 PLP SER 0.5125 0.769231
7 PLP CYS 0.506024 0.828125
8 GLU PLP 0.505882 0.857143
9 LEU PLP 0.494118 0.772727
10 PLP 2TL 0.493976 0.784615
11 SER PLP 0.493976 0.828125
12 PLP BH2 0.488095 0.784615
13 GLY PLP 0.4875 0.796875
14 GAB PLP 0.483516 0.80597
15 GBC PLP 0.483516 0.80597
16 PLP SEP 0.482353 0.796875
17 ASP PLP 0.482353 0.825397
18 SEP PLP 0.482353 0.796875
19 PLP MET 0.47191 0.768116
20 MET PLP 0.47191 0.768116
21 PLP TYR 0.456522 0.8
22 PLP PMP 0.451219 0.710145
23 PLP 2ML 0.449438 0.75
24 PLP 0A0 0.448276 0.776119
25 PDG 0.438202 0.907692
26 PGU 0.438202 0.907692
27 PPD 0.436782 0.876923
28 PP3 0.435294 0.80597
29 PDA 0.435294 0.80597
30 PDD 0.435294 0.80597
31 PLG 0.433735 0.848485
32 QLP 0.433333 0.855072
33 PY5 0.431818 0.852941
34 PLP SUO 0.43 0.838235
35 76U 0.428571 0.893939
36 2BO 0.425287 0.80597
37 PLS 0.425287 0.848485
38 2BK 0.425287 0.80597
39 TLP 0.425287 0.80597
40 5PA 0.425287 0.838235
41 7XF 0.422222 0.878788
42 C6P 0.420455 0.848485
43 P1T 0.418605 0.811594
44 IN5 0.416667 0.776119
45 PY6 0.413043 0.828571
46 N5F 0.408602 0.893939
47 ORX 0.408602 0.865672
48 EA5 0.408602 0.867647
49 ILP 0.406593 0.808824
50 CBA 0.406593 0.771429
51 PE1 0.404255 0.865672
52 PMG 0.402174 0.855072
53 PLA 0.4 0.826087
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2OAT; Ligand: PFM; Similar sites found: 54
This union binding pocket(no: 1) in the query (biounit: 2oat.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3AB1 FAD 0.01902 0.40959 1.66667
2 3NUB UD0 0.0125 0.40878 1.67131
3 3WXM GTP 0.01139 0.40107 2.05011
4 3WGC PLG 0.003623 0.40914 2.05279
5 1T9D P22 0.01947 0.40428 2.2779
6 3VP6 HLD 0.002191 0.43495 2.96128
7 5K8B PDG 0.002492 0.42902 3.72208
8 4X28 FDA 0.005268 0.42622 3.75335
9 2Y91 98J 0.02285 0.40773 3.77358
10 3B8X G4M 0.002918 0.44191 3.84615
11 4WXG 2BO 0.003713 0.42297 4.6729
12 5U23 TQP 0.01504 0.40504 4.71204
13 5W70 9YM 0.009093 0.40043 4.7836
14 1M32 PLP 0.006804 0.42782 5.7377
15 1DFO PLG 0.002737 0.4235 6.23501
16 4NCN GTP 0.005448 0.41383 6.83371
17 5W71 9YM 0.02532 0.40359 6.83371
18 2OGA PGU 0.004574 0.41547 7.01754
19 3FRK TQP 0.006189 0.42297 7.5067
20 4F8L AES 0.02242 0.4062 8.96552
21 2C5L GTP 0.01382 0.40022 9.24856
22 5GVL PLG 0.01749 0.4104 10.7062
23 5GVL GI8 0.01749 0.4104 10.7062
24 3BY8 MLT 0.0227 0.40241 11.9718
25 3DR4 G4M 0.01136 0.4184 13.0435
26 2WK9 PLG 0.004526 0.43055 16.4524
27 2WK9 PLP 0.006208 0.42163 16.4524
28 4K2M O1G 0.002171 0.4002 17.5399
29 5DDW 5B6 0.0000000002167 0.74058 23.2346
30 1LW4 TLP 0.002667 0.42202 25.9366
31 1LW4 PLP 0.002233 0.41788 25.9366
32 4ZM4 P3B 0.00000007312 0.62532 29.1572
33 4ZM4 PLP 0.0000001534 0.5856 29.1572
34 3BS8 PMP 0.002359 0.445 34.0183
35 3FQ8 PMP 0.000000006171 0.68228 35.8314
36 5G09 6DF 0.000000001644 0.69805 36.2187
37 4AOA IK2 0.000000002021 0.67391 38.9522
38 4ZSY RW2 0.000000001116 0.70899 39.18
39 2CJH AKG 0.0009365 0.46874 39.6355
40 5KGS 6SR 0.00000001112 0.71235 40.919
41 4E3Q PMP 0.000000005331 0.61704 42.1412
42 4BA5 PXG 0.0000004531 0.57442 43.2802
43 4UHO PLP 0.00000008423 0.54945 43.7358
44 3A8U PLP 0.01371 0.42556 44.4191
45 4B98 PXG 0.00000003791 0.6312 44.8747
46 1ZC9 PMP 0.0000003856 0.59045 45.0346
47 4ADC PLP 0.000000000002768 0.83249 46.3054
48 4UOX PLP PUT 0.0000000004406 0.71551 47.1526
49 4UOX PUT 0.0000000003012 0.70873 47.1526
50 4UOX PLP 0.000000000185 0.68786 47.1526
51 5G4J EXT 0.0000003358 0.57607 47.3804
52 1MLY ACZ PLP 0.000000004225 0.67643 48.2517
53 5WYF ILP 0.00000000254 0.68971 48.2916
54 1SFF IK2 0.000000000007521 0.74783 49.2958
Pocket No.: 2; Query (leader) PDB : 2OAT; Ligand: PFM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2oat.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2OAT; Ligand: PFM; Similar sites found: 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 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2OAT; Ligand: PFM; Similar sites found: 4
This union binding pocket(no: 4) in the query (biounit: 2oat.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3ZRR PXG 0.004056 0.41595 2.08333
2 1VJO PLP 0.001901 0.43055 3.30789
3 2RHW C0E 0.007106 0.4176 6.00707
4 2Z9V PXM 0.002167 0.45259 7.39796
Pocket No.: 5; Query (leader) PDB : 2OAT; Ligand: PFM; Similar sites found: 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 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2OAT; Ligand: PFM; Similar sites found: 122
This union binding pocket(no: 6) in the query (biounit: 2oat.bio3) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3NYQ AMP 0.005797 0.4048 1.13895
2 3NYQ MCA 0.005378 0.4048 1.13895
3 4MP8 MLI 0.006264 0.40803 1.17994
4 4MP8 NAD 0.006264 0.40803 1.17994
5 1PEA ACM 0.001596 0.46003 1.55844
6 1H82 FAD 0.02157 0.40202 1.59453
7 1H82 GZZ 0.0243 0.40186 1.59453
8 1GV0 NAD 0.00535 0.40233 1.6129
9 1O9U ADZ 0.007735 0.43472 1.71429
10 1Z44 NPO 0.01501 0.4365 1.77515
11 4AF0 IMP 0.01097 0.40789 2.05011
12 1HV9 COA 0.01234 0.40587 2.05011
13 2NVK FAD 0.009636 0.40486 2.05011
14 1LC8 33P 0.0004265 0.43787 2.1978
15 4HVK PMP 0.00006305 0.42192 2.35602
16 2J07 FAD 0.0146 0.40378 2.38095
17 2J07 HDF 0.0146 0.40378 2.38095
18 1VDC FAD 0.00266 0.43208 2.4024
19 4CKU P2F 0.01006 0.40936 2.43161
20 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.01433 0.40449 2.5641
21 1FL2 FAD 0.004056 0.41835 2.58065
22 3BW2 FMN 0.005211 0.40275 2.71003
23 1WXI AMP 0.01044 0.40161 2.90909
24 3LZW FAD 0.005132 0.41238 3.01205
25 3LZW NAP 0.01613 0.40781 3.01205
26 1T26 GBD 0.01753 0.42188 3.10559
27 1T26 NAI 0.01753 0.42188 3.10559
28 2QS8 MET 0.00558 0.40033 3.11005
29 3ZPG 5GP 0.03115 0.40445 3.14136
30 1YOA FMN 0.001295 0.49462 3.14465
31 4W6Z 8ID 0.006276 0.40582 3.17003
32 3R35 4CO 0.0015 0.42402 3.31126
33 3OND ADN 0.007917 0.41346 3.41686
34 3OND NAD 0.007917 0.41346 3.41686
35 3NKS FAD 0.009709 0.4008 3.41686
36 2GGH NLQ 0.004585 0.41095 3.46667
37 4P3H 25G 0.006324 0.4147 3.62694
38 4Q3R XA2 0.0038 0.40204 3.63636
39 4FWE FAD 0.009954 0.40614 3.64465
40 4A8H PUW 0.001977 0.41891 3.66197
41 1UWZ THU 0.001197 0.40184 3.67647
42 3FPZ AHZ 0.0315 0.40546 3.68098
43 1U5R ATP 0.0009102 0.40558 3.73563
44 1MDZ PLP 0.0001617 0.46122 3.81679
45 1MDZ DCS 0.0001772 0.46122 3.81679
46 3F81 STT 0.00138 0.47192 3.82514
47 2C7G FAD 0.02226 0.4008 3.87244
48 2C7G ODP 0.02141 0.4008 3.87244
49 4M2K PLP 0.0001859 0.40945 3.94089
50 1B8U NAD 0.001889 0.406 3.95137
51 1B8U OAA 0.006752 0.40112 3.95137
52 2F2U M77 0.0008764 0.431 3.9801
53 1TOI HCI 0.0014 0.42228 4.0404
54 1TDF FAD 0.01652 0.40007 4.11392
55 4LNL 2BK 0.0001456 0.43221 4.2042
56 1V6A TRE 0.01203 0.40086 4.21687
57 3S9K CIT 0.00213 0.49786 4.23729
58 3TA2 AKG 0.004572 0.40349 4.23729
59 3NFZ 3NF 0.004238 0.4001 4.28135
60 3P3N AKG 0.004804 0.42377 4.29799
61 3I28 34N 0.01149 0.40628 4.32802
62 2AQJ FAD 0.001332 0.45224 4.64684
63 2AQJ TRP 0.01195 0.41308 4.64684
64 3SHR CMP 0.001454 0.42254 4.68227
65 1R6D DAU 0.00986 0.41285 4.74777
66 1R6D NAD 0.01029 0.41285 4.74777
67 4PLG NAI 0.002413 0.42375 4.7836
68 4PLG OXM 0.002413 0.42375 4.7836
69 3PLN U5P 0.002625 0.4232 5.01139
70 3FC4 EDO 0.008127 0.41695 5.01139
71 1BDB NAD 0.03418 0.40091 5.05415
72 1C0I FAD 0.003751 0.42444 5.23416
73 1C0I BE2 0.003751 0.42444 5.23416
74 1X54 4AD 0.003404 0.40218 5.29954
75 2VBQ BSJ 0.004277 0.41092 5.45455
76 3P7G MAN 0.01686 0.41407 5.47945
77 2YVF NAD 0.01113 0.41632 5.63725
78 2QCX PF1 0.01142 0.40183 5.70342
79 3D2Y AH0 ALA FGA LYS 0.000192 0.43626 5.74713
80 3JYN NDP 0.007792 0.4 5.84615
81 1GEX PLP HSA 0.001573 0.4158 5.89888
82 2XK9 XK9 0.004316 0.41077 5.90062
83 1UDB NAD 0.01266 0.40777 5.91716
84 1UDB UFG 0.01266 0.40777 5.91716
85 1J5P NAD 0.003117 0.40815 5.92885
86 3UEC ALA ARG TPO LYS 0.01949 0.40224 6.16438
87 2CE7 ADP 0.0003408 0.41567 6.37813
88 1OTH PAO 0.002999 0.41421 6.54206
89 3IU9 T07 0.02059 0.40351 6.59722
90 1NZY BCA 0.004199 0.40344 6.69145
91 4PVV HO4 0.01008 0.4012 7.09877
92 4CO3 ATP 0.01322 0.4009 7.14286
93 1V7R CIT 0.03412 0.4092 7.51708
94 1GSA GSH 0.002777 0.42568 7.59494
95 1GSA ADP 0.01717 0.4002 7.59494
96 2G86 UMP 0.005846 0.41948 7.91139
97 1DR1 HBI 0.005027 0.41166 7.93651
98 1DR1 NAP 0.005027 0.41166 7.93651
99 2E1A MSE 0.0004234 0.44924 8
100 2Q2V NAD 0.00403 0.41069 8.23529
101 1G8S MET 0.005989 0.41955 8.69565
102 4KQI NIO 0.006187 0.40129 8.70786
103 4KQI RBZ 0.006187 0.40129 8.70786
104 1C1L GAL BGC 0.004844 0.43003 8.75912
105 4F8L GAL 0.01057 0.44484 8.96552
106 1SS4 CIT 0.0002353 0.50597 9.15033
107 1SS4 GSH 0.001557 0.50076 9.15033
108 4F4S EFO 0.006211 0.4078 9.21053
109 3H86 AP5 0.01004 0.40816 9.375
110 4BX7 B4F 0.003945 0.40297 10.1562
111 2F01 BTN 0.01889 0.40879 10.2362
112 2F01 BTQ 0.02677 0.40255 10.2362
113 2IMP NAI 0.02615 0.40888 10.4784
114 2ZB3 NDP 0.005311 0.40111 10.4816
115 2Q37 3AL 0.005355 0.41586 10.4972
116 1YBH FAD 0.005861 0.41121 10.7062
117 4Q0P 0MK 0.0235 0.41641 11.1538
118 1R37 NAD 0.003765 0.413 12.1037
119 1M7Y PPG 0.0002706 0.44992 12.4138
120 1QO0 BMD 0.002457 0.43662 18.3673
121 3RF4 FUN 0.006666 0.40654 21.5517
122 1T0S BML 0.01092 0.42021 23.2558
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