Receptor
PDB id Resolution Class Description Source Keywords
1A0G 2 Å EC: 2.6.1.21 L201A MUTANT OF D-AMINO ACID AMINOTRANSFERASE COMPLEXED WITH PYRIDOXAMINE-5'-PHOSPHATE BACILLUS SP. TRANSFERASE AMINOTRANSFERASE PYRIDOXAL-5-prime -PHOSPHATE D-AMID-ALANINE ALPHA-KETOGLUTAMIC ACID
Ref.: CRYSTAL STRUCTURES OF L201A MUTANT OF D-AMINO ACID AMINOTRANSFERASE AT 2.0 A RESOLUTION: IMPLICATION O STRUCTURAL ROLE OF LEU201 IN TRANSAMINATION. PROTEIN ENG. V. 11 613 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PMP A:285;
B:285;
Valid;
Valid;
none;
none;
submit data
248.173 C8 H13 N2 O5 P Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DAA 1.9 Å EC: 2.6.1.21 CRYSTALLOGRAPHIC STRUCTURE OF D-AMINO ACID AMINOTRANSFERASE INACTIVATED BY PYRIDOXYL-D-ALANINE BACILLUS SP. AMINOTRANSFERASE PYRIDOXAL PHOSPHATE TRANSAMINASE
Ref.: CRYSTALLOGRAPHIC STUDY OF STEPS ALONG THE REACTION OF D-AMINO ACID AMINOTRANSFERASE. BIOCHEMISTRY V. 37 4958 1998
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3LQS - PSZ C13 H15 N2 O7 P S Cc1c(c(c(c....
2 3DAA - PDD C11 H17 N2 O7 P Cc1c(c(c(c....
3 1A0G - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
4 2DAA - DCS C11 H16 N3 O7 P Cc1c(c(c(c....
5 1DAA - PLP C8 H10 N O6 P Cc1c(c(c(c....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3LQS - PSZ C13 H15 N2 O7 P S Cc1c(c(c(c....
2 3DAA - PDD C11 H17 N2 O7 P Cc1c(c(c(c....
3 1A0G - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
4 2DAA - DCS C11 H16 N3 O7 P Cc1c(c(c(c....
5 1DAA - PLP C8 H10 N O6 P Cc1c(c(c(c....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3LQS - PSZ C13 H15 N2 O7 P S Cc1c(c(c(c....
2 3DAA - PDD C11 H17 N2 O7 P Cc1c(c(c(c....
3 1A0G - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
4 2DAA - DCS C11 H16 N3 O7 P Cc1c(c(c(c....
5 1DAA - PLP C8 H10 N O6 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PMP; Similar ligands found: 69
No: Ligand ECFP6 Tc MDL keys Tc
1 PMP 1 1
2 PXP 0.7 0.888889
3 GT1 0.673077 0.793103
4 IN5 0.57377 0.912281
5 PLG 0.57377 0.866667
6 P1T 0.571429 0.825397
7 PLR 0.557692 0.781818
8 TLP 0.553846 0.881356
9 2BK 0.553846 0.881356
10 2BO 0.553846 0.881356
11 PDA 0.546875 0.881356
12 PDD 0.546875 0.881356
13 PP3 0.546875 0.881356
14 ILP 0.544118 0.852459
15 IK2 0.538462 0.825397
16 33P 0.538462 0.896552
17 PMH 0.530303 0.742857
18 5PA 0.530303 0.825397
19 PLS 0.530303 0.866667
20 PLP 0.527273 0.767857
21 PPD 0.522388 0.866667
22 C6P 0.522388 0.866667
23 ORX 0.521127 0.854839
24 PXM 0.52 0.735849
25 PZP 0.517857 0.836364
26 PY5 0.514706 0.8125
27 PLA 0.514706 0.8125
28 PL2 0.514286 0.84127
29 QLP 0.514286 0.815385
30 PE1 0.513889 0.854839
31 PPG 0.513514 0.825397
32 P0P 0.508772 0.8
33 HEY 0.507042 0.8125
34 PGU 0.5 0.83871
35 EA5 0.5 0.828125
36 CBA 0.5 0.83871
37 PDG 0.5 0.83871
38 PMG 0.492958 0.787879
39 DCS 0.492958 0.712329
40 LCS 0.492958 0.675676
41 PY6 0.486111 0.787879
42 LLP 0.48 0.84127
43 PL4 0.48 0.854839
44 N5F 0.479452 0.825397
45 PSZ 0.479452 0.8
46 0JO 0.462687 0.714286
47 AN7 0.461538 0.741379
48 PXG 0.460526 0.866667
49 GLY PLP 0.454545 0.779661
50 FOO 0.454545 0.75
51 PL8 0.454545 0.732394
52 NPL 0.45 0.898305
53 KAM 0.448718 0.825397
54 1D0 0.444444 0.8
55 2B1 0.443038 0.690141
56 P3D 0.442857 0.85
57 PLP SER 0.441176 0.779661
58 EPC 0.439394 0.789474
59 MP5 0.438596 0.728814
60 PLP PMP 0.432836 0.770492
61 2B6 0.426829 0.662162
62 AQ3 0.426829 0.8125
63 PLP ALO 0.422535 0.833333
64 MPM 0.414286 0.75
65 KOU 0.408451 0.8
66 HCP 0.402778 0.741935
67 SER PLP 0.402778 0.813559
68 Z98 0.4 0.777778
69 PFM 0.4 0.770492
Similar Binding Sites
Pocket no: 1; Query (leader) PDB : 3DAA; Ligand: PDD; Similar sites found: 85
This union binding pocket (no: 1) in the query (biounit: 3daa.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 3DAA PDD 4.228e-17 1
2 4UUG PXG 9.107e-11 0.73222
3 4CE5 PDG 1.913e-10 0.69274
4 3UZO GLU 1.497e-08 0.65068
5 2HDK COI 2.698e-07 0.63789
6 1IYE PGU 0.004253 0.47133
7 3HT5 PMP 0.001531 0.44315
8 4CMF PXG 0.01664 0.43531
9 2ABJ CBC 0.0008173 0.42695
10 1H82 GZZ 0.03621 0.40122
11 1I2L DCS 0.01842 0.39941
12 1FEC FAD 0.02721 0.39554
13 1V59 FAD 0.03733 0.39258
14 1JG3 ADN 0.02845 0.39179
15 3AB1 FAD 0.04606 0.38017
16 4NB4 SH3 0.04153 0.37905
17 3RUX BS5 0.04328 0.37474
18 3KVY R2B 0.002315 0.37409
19 3GMB FAD 0.04549 0.37253
20 4NB4 ADP 0.03545 0.37181
21 4C4P GNP 0.0376 0.37069
22 2D7C GTP 0.03548 0.37026
23 3MF2 AMP 0.0382 0.36887
24 1KYZ SAH 0.01088 0.36878
25 3DP9 BIG 0.01293 0.36835
26 2GLX NDP 0.04795 0.36752
27 4H2V AMP 0.04277 0.36674
28 4F3C BIG 0.04998 0.36672
29 1NW4 IMH 0.01037 0.36445
30 4BMX ADE 0.01843 0.36354
31 4H2W AMP 0.02354 0.36232
32 1ODJ GMP 0.01567 0.36041
33 3ZKI WZV 0.04043 0.3602
34 1ZOS MTM 0.02322 0.36011
35 3NK7 SAM 0.0389 0.3592
36 1OJZ NAD 0.02676 0.35901
37 4H2W 5GP 0.03623 0.35559
38 3BJE R1P 0.03054 0.35484
39 1G4U GDP 0.02081 0.35468
40 3QPB R1P 0.03242 0.35315
41 1JQY A32 0.04032 0.35008
42 1LO0 BC1 0.0469 0.34982
43 4ITH RCM 0.0291 0.34969
44 1VHW ADN 0.009255 0.34745
45 4FE2 AIR 0.04193 0.34198
46 3U40 ADN 0.008288 0.34172
47 4I5I 4I5 0.04903 0.34146
48 1FDQ HXA 0.03759 0.34036
49 1WK9 TSB 0.04144 0.34002
50 4QAR ADE 0.05 0.33912
51 4B3J COA 0.03424 0.33867
52 4KBF AMP 0.03114 0.33534
53 3IB1 IMN 0.016 0.33243
54 4L6T GAL 0.0428 0.33158
55 2FJK 13P 0.04882 0.33143
56 3N9R TD3 0.04396 0.32855
57 3IWD M2T 0.03501 0.3267
58 1M3U KPL 0.04591 0.32529
59 2NV2 GLN 0.04158 0.32499
60 2O2U 738 0.04629 0.32326
61 1OFL NGK 0.006952 0.32282
62 1C3X 8IG 0.006616 0.32174
63 4OUE IPT 0.01068 0.32033
64 3PNQ 2HA 0.0289 0.31845
65 2W41 ADP 0.04828 0.31815
66 1YNS HPO 0.04249 0.31806
67 4JWX 1N4 0.04438 0.31712
68 1Q8P MAN 0.04025 0.31706
69 2JLD ALA 0.0436 0.31665
70 1K4M CIT 0.01238 0.31588
71 3WD6 GSH 0.03166 0.31503
72 3V1S 0LH 0.04069 0.31152
73 2WNF CG3 0.03894 0.30939
74 3BPX SAL 0.02388 0.309
75 2X1E X1E 0.03815 0.30719
76 1MUU SUC 0.02333 0.30638
77 4IKN ASP 0.04592 0.30588
78 2OG2 MLI 0.04493 0.30195
79 3BQF SSM 0.0216 0.30143
80 2J5V PCA 0.04382 0.30136
81 2WZ5 MET 0.01644 0.30126
82 1CEB AMH 0.04951 0.30107
83 2PK4 ACA 0.03534 0.29929
84 3KIV ACA 0.03037 0.29795
85 4MZU TDR 0.0282 0.29209
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