Receptor
PDB id Resolution Class Description Source Keywords
4N69 1.8 Å EC: 2.3.1.30 SOYBEAN SERINE ACETYLTRANSFERASE COMPLEXED WITH SERINE GLYCINE MAX ACETYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURE OF SOYBEAN SERINE ACETYLTRANSFERASE AND F OF THE CYSTEINE REGULATORY COMPLEX AS A MOLECULAR C J.BIOL.CHEM. V. 288 36463 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SER A:301;
B:501;
Valid;
Valid;
none;
none;
submit data
105.093 C3 H7 N O3 C([C@...
PO4 A:302;
B:502;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4N69 1.8 Å EC: 2.3.1.30 SOYBEAN SERINE ACETYLTRANSFERASE COMPLEXED WITH SERINE GLYCINE MAX ACETYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURE OF SOYBEAN SERINE ACETYLTRANSFERASE AND F OF THE CYSTEINE REGULATORY COMPLEX AS A MOLECULAR C J.BIOL.CHEM. V. 288 36463 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4N69 - SER C3 H7 N O3 C([C@@H](C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4N69 - SER C3 H7 N O3 C([C@@H](C....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1SST - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 1SSQ Ki = 1 uM CYS C3 H7 N O2 S C([C@@H](C....
3 4N69 - SER C3 H7 N O3 C([C@@H](C....
4 1T3D - CYS C3 H7 N O2 S C([C@@H](C....
5 4HZD - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SER; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 SER 1 1
2 DSN 1 1
3 DCY 0.65 0.84
4 CYS 0.65 0.84
5 ABA 0.6 0.692308
6 DBB 0.6 0.692308
7 2RA 0.6 0.75
8 HSE 0.590909 0.821429
9 C2N 0.571429 0.730769
10 ASN 0.545455 0.625
11 ASP 0.545455 0.714286
12 DAS 0.545455 0.714286
13 DAB 0.521739 0.724138
14 AS2 0.5 0.703704
15 LEU 0.5 0.642857
16 HCS 0.5 0.777778
17 NVA 0.5 0.62069
18 CSO 0.5 0.636364
19 API 0.5 0.633333
20 CSS 0.48 0.689655
21 DGY 0.47619 0.607143
22 DGL 0.461538 0.655172
23 GLU 0.461538 0.655172
24 GGL 0.461538 0.655172
25 ORN 0.444444 0.689655
26 SLZ 0.433333 0.625
27 UN1 0.413793 0.633333
28 DLY 0.413793 0.666667
29 11C 0.413793 0.633333
30 CME 0.40625 0.666667
31 DHH 0.4 0.612903
32 LYS 0.4 0.645161
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4N69; Ligand: SER; Similar sites found: 128
This union binding pocket(no: 1) in the query (biounit: 4n69.bio2) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1F7L COA 0.009737 0.43163 None
2 2PJL 047 0.03724 0.40385 1.21457
3 4I9A NCN 0.00505 0.43941 1.3986
4 4TMK T5A 0.02495 0.45108 1.40845
5 3TA2 ATP 0.006222 0.44084 1.69492
6 3TA2 AKG 0.02022 0.41131 1.69492
7 2NLI LAC 0.003134 0.47679 1.74825
8 2NLI FMN 0.002928 0.47679 1.74825
9 3LZW NAP 0.04626 0.41705 1.74825
10 1I2B USQ 0.01306 0.46954 2.0979
11 1I2B NAD 0.01306 0.46954 2.0979
12 1I2B UPG 0.01306 0.46954 2.0979
13 1WL4 COA 0.006333 0.45029 2.0979
14 1D3V ABH 0.01418 0.41449 2.0979
15 4QN7 G39 0.04016 0.4038 2.0979
16 2BGM NAJ 0.02048 0.4344 2.15827
17 2BGM MAX 0.006424 0.42878 2.15827
18 1V1A KDG 0.001867 0.44699 2.44755
19 1V1A ADP 0.008305 0.42936 2.44755
20 1VDC FAD 0.02249 0.42661 2.44755
21 3AHC TPP 0.02632 0.40715 2.44755
22 4U36 TNR 0.004543 0.43565 2.5
23 1SBZ FMN 0.01177 0.426 2.53807
24 3S9K CIT 0.00176 0.48634 2.54237
25 2NT8 ATP 0.01311 0.42011 2.69058
26 2IMP NAI 0.006581 0.4704 2.7972
27 2QS8 MET 0.01305 0.41754 2.7972
28 4HZX G39 0.02539 0.41728 2.7972
29 3OIG IMJ 0.02372 0.41269 2.7972
30 1ZFJ IMP 0.03973 0.41119 2.7972
31 2Q3M MLA 0.01464 0.40137 2.7972
32 2PAR TMP 0.007346 0.44669 2.98507
33 1FS5 TLA 0.02704 0.40351 3.00752
34 3FSJ D7K 0.01037 0.4557 3.14685
35 3FPZ AHZ 0.0128 0.45542 3.14685
36 1QS0 TDP 0.00455 0.42874 3.14685
37 2XVE FAD 0.03675 0.424 3.14685
38 3Q3C NAD 0.04587 0.41399 3.14685
39 4Q3R XA2 0.01747 0.4103 3.14685
40 4M5P MLA 0.01749 0.40514 3.14685
41 2AEB ABH 0.02292 0.40485 3.14685
42 1RRC ADP 0.01897 0.40422 3.14685
43 1YBH CIE 0.001202 0.48116 3.4965
44 1YBH FAD 0.006348 0.47435 3.4965
45 1GSA ADP 0.004474 0.46122 3.4965
46 1SAZ ACP 0.01244 0.45501 3.4965
47 4CMF PXG 0.0165 0.43483 3.4965
48 1YBH P22 0.01688 0.41742 3.4965
49 1GSA GSH 0.04104 0.40883 3.4965
50 4B7J G39 0.0409 0.40137 3.4965
51 2H6B 3C4 0.0238 0.42975 3.6
52 3H86 AP5 0.002565 0.47175 3.64583
53 1Q3Q ANP 0.03444 0.42164 3.84615
54 4MWV BCZ 0.0228 0.41764 3.84615
55 2PWY SAH 0.01732 0.40757 3.87597
56 1YWQ FMN 0.01368 0.4017 4
57 1OFH ADP 0.00109 0.46562 4.1958
58 1OWB NAD 0.005231 0.44069 4.1958
59 2DUA OXL 0.00294 0.43722 4.1958
60 1X1T NAD 0.005858 0.46959 4.23077
61 4IAE 1DX 0.01935 0.431 4.2328
62 1I9G SAM 0.007964 0.4472 4.28571
63 1JA9 NDP 0.007077 0.46418 4.37956
64 1JA9 PYQ 0.01357 0.41941 4.37956
65 1DLJ NAI 0.04592 0.41258 4.54545
66 1KC7 PPR 0.002329 0.4054 4.54545
67 3R35 4CO 0.02972 0.40581 4.63576
68 1JUV NDP 0.02675 0.40308 4.66321
69 1BTN I3P 0.002313 0.46782 4.71698
70 1MVN PCO 0.001726 0.48789 4.78469
71 1MVN FMN 0.006791 0.44396 4.78469
72 3EM1 TYD 0.003017 0.44294 4.79452
73 4N4J HG1 0.00297 0.4628 4.8951
74 4IVG ANP 0.01806 0.43287 4.8951
75 1FA2 DOM 0.01383 0.41903 4.8951
76 4HGP KDO 0.0009406 0.48152 5
77 2FWP CIT 0.005828 0.43913 5.46448
78 4LTN NAI 0.0005457 0.50611 5.58376
79 4LTN FMN 0.004203 0.45896 5.58376
80 1LCP PLU 0.0062 0.43101 5.59441
81 4N02 FNR 0.02689 0.42569 5.59441
82 2XZ3 MAL 0.02714 0.40532 5.59441
83 2HVK TBA 0.003553 0.40821 5.64516
84 3GD8 GOL 0.02696 0.4002 5.8296
85 1T26 NAI 0.002388 0.49958 5.94406
86 1T26 GBD 0.002388 0.49958 5.94406
87 4GCS 1RG 0.004686 0.43424 5.94406
88 3CL7 HYN 0.00537 0.43233 5.94406
89 2XBP ATP 0.04024 0.41288 6.19469
90 2X61 NGA GAL SIA 0.004389 0.468 6.20155
91 2X61 CH 0.004158 0.45524 6.20155
92 2BNE U5P 0.00114 0.47566 6.22407
93 1NVU GTP 0.01132 0.44594 6.64336
94 3EYK EYK 0.002017 0.41833 6.64336
95 1DUC DUD 0.01256 0.40988 6.71642
96 2EI4 22B 0.001837 0.47595 6.71937
97 1V5F TPP 0.0003009 0.56433 6.99301
98 1V5F FAD 0.0003009 0.56433 6.99301
99 2FMD MAN MAN 0.009126 0.41522 7.08333
100 1F8F NAD 0.008024 0.45342 7.34266
101 3VHZ L2P GLC MAN SGA 0.005833 0.46754 7.63359
102 3VHZ SOG 0.01325 0.44657 7.63359
103 4OYA 1VE 0.011 0.46647 7.69231
104 1DKU AP2 0.0208 0.40882 8.74126
105 4OK9 HIS 0.01063 0.41043 9.39597
106 4LO6 SIA GAL 0.001413 0.43592 9.47368
107 1QJC PNS 0.02483 0.42778 9.49367
108 2HMT NAI 0.03371 0.41786 9.72222
109 1R0X ATP 0.00699 0.43786 9.79021
110 1LTH NAD 0.0259 0.42651 9.79021
111 4AAW R84 0.003179 0.46852 10.1399
112 1MG1 MAL 0.01017 0.41653 10.1399
113 1SC3 MLI 0.007165 0.4085 10.2273
114 2NS1 ADP 0.004008 0.44987 10.3448
115 3Q9T FAY 0.02812 0.41419 10.4895
116 2GJ3 FAD 0.03021 0.4049 10.8333
117 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.02653 0.42417 10.8392
118 2BLE 5GP 0.003823 0.47246 11.1888
119 2D4N DUP 0.002965 0.44328 11.8421
120 3PAK MAN 0.001951 0.43994 13.5135
121 2P4T NAP 0.008647 0.43109 14.5161
122 4M6T SAM 0.003827 0.45592 14.7541
123 4B9Q ATP 0.04075 0.41561 15.035
124 1EDO NAP 0.03364 0.42941 15.5738
125 3FS8 ACO 0.04098 0.42807 26.9231
126 3FS8 TDR 0.03833 0.42807 26.9231
127 3HQJ COA 0.01013 0.41137 26.9231
128 4GQB 0XU 0.002419 0.47778 36.3636
Pocket No.: 2; Query (leader) PDB : 4N69; Ligand: SER; Similar sites found: 22
This union binding pocket(no: 2) in the query (biounit: 4n69.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3PHQ KDO 0.04034 0.40415 2.30415
2 1FS5 16G 0.006578 0.41133 3.00752
3 2DKH 3HB 0.04019 0.40096 3.14685
4 3TO7 COA 0.002456 0.4558 3.98551
5 4TSK TLA 0.0009994 0.44788 4.1958
6 2C31 ADP 0.03076 0.42567 4.1958
7 2C31 TZD 0.03152 0.42567 4.1958
8 3VKX T3 0.003701 0.42473 4.5977
9 1WVC CTP 0.003247 0.47939 4.6332
10 1Y1A GSH 0.0157 0.42296 4.91803
11 2VJJ RAM GLC GAL NAG NAG GLC 0.01524 0.42861 5.24476
12 3A8U PLP 0.01805 0.40085 5.59441
13 3R51 MMA 0.01137 0.41109 5.625
14 1EXB NDP 0.04853 0.41581 5.82524
15 4LBP 1WG 0.01375 0.4115 6
16 2PMP C5P 0.005488 0.40837 6.25
17 1YOA FMN 0.0167 0.41905 6.91824
18 3GB5 FMN 0.007563 0.41063 7.33591
19 2WGC SIA GAL BGC 0.01273 0.42526 7.60234
20 3QV1 NAD 0.006009 0.42742 8.53659
21 1NU4 MLA 0.03737 0.40055 10.3093
22 2QIA U20 0.01217 0.43552 11.8321
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