Receptor
PDB id Resolution Class Description Source Keywords
1JL0 1.5 Å EC: 4.1.1.50 STRUCTURE OF A HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE SELF PROCESSING ESTER INTERMEDIATE AND MECHANISM OF PUTRESCINE SO F PROCESSING AS REVEALED BY THE H243A MUTANT HOMO SAPIENS SPERMIDINE BIOSYNTHESIS LYASE DECARBOXYLASE PYRUVATE S- ADENOSYLMETHIONINE SANDWICH ALLOSTERIC ENZYME PYRUVOYL INTERMEDIATE HYDROXYALANINE
Ref.: STRUCTURE OF A HUMAN S-ADENOSYLMETHIONINE DECARBOXY SELF-PROCESSING ESTER INTERMEDIATE AND MECHANISM OF PUTRESCINE STIMULATION OF PROCESSING AS REVEALED BY H243A MUTANT. BIOCHEMISTRY V. 40 9495 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PUT A:2010;
B:2020;
Valid;
Valid;
none;
none;
submit data
88.151 C4 H12 N2 C(CCN...
TRS A:2050;
B:2060;
Invalid;
Invalid;
none;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JL0 1.5 Å EC: 4.1.1.50 STRUCTURE OF A HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE SELF PROCESSING ESTER INTERMEDIATE AND MECHANISM OF PUTRESCINE SO F PROCESSING AS REVEALED BY THE H243A MUTANT HOMO SAPIENS SPERMIDINE BIOSYNTHESIS LYASE DECARBOXYLASE PYRUVATE S- ADENOSYLMETHIONINE SANDWICH ALLOSTERIC ENZYME PYRUVOYL INTERMEDIATE HYDROXYALANINE
Ref.: STRUCTURE OF A HUMAN S-ADENOSYLMETHIONINE DECARBOXY SELF-PROCESSING ESTER INTERMEDIATE AND MECHANISM OF PUTRESCINE STIMULATION OF PROCESSING AS REVEALED BY H243A MUTANT. BIOCHEMISTRY V. 40 9495 2001
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1MSV - PUT C4 H12 N2 C(CCN)CN
2 1JL0 - PUT C4 H12 N2 C(CCN)CN
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1MSV - PUT C4 H12 N2 C(CCN)CN
2 1JL0 - PUT C4 H12 N2 C(CCN)CN
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1MSV - PUT C4 H12 N2 C(CCN)CN
2 1JL0 - PUT C4 H12 N2 C(CCN)CN
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PUT; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 PUT 1 1
2 13D 0.666667 0.8
3 16D 0.636364 0.9
4 N2P 0.636364 0.947368
5 DIA 0.583333 0.9
6 AML 0.5 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JL0; Ligand: PUT; Similar sites found: 79
This union binding pocket(no: 1) in the query (biounit: 1jl0.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4Z5W TYS ILE TYS THR GLN 0.008376 0.42974 1.49701
2 2VFT SOR 0.007547 0.4101 1.49701
3 3IX8 TX3 0.0049 0.45822 2.09581
4 5EYK 5U5 0.028 0.40451 2.17391
5 4ZSI GLP 0.002669 0.45879 2.33918
6 4ZSI 4R1 0.003337 0.44869 2.33918
7 4LOO SB4 0.01046 0.42272 2.39521
8 1XPM CAA 0.01169 0.40974 2.39521
9 3RGA LSB 0.005172 0.4243 2.4735
10 2VEG PMM 0.0143 0.40248 2.54777
11 4AVO BGC BGC BGC BGC BGC BGC 0.02445 0.40307 2.69461
12 3EM0 CHD 0.007471 0.45255 2.89855
13 1T27 PCW 0.02641 0.42091 2.95203
14 4NMC FAD 0.0261 0.40787 2.99401
15 3JQ3 ADP 0.01589 0.4037 2.99401
16 3STD MQ0 0.02038 0.41356 3.0303
17 1Y0G 8PP 0.02207 0.40453 3.14136
18 3KJM 245 0.005287 0.41304 3.29341
19 1NCQ W11 0.01307 0.40276 3.29341
20 2QA8 GEN 0.01111 0.40278 3.48837
21 4X7G 3Y8 0.04022 0.40145 3.58566
22 4V24 GYR 0.0419 0.40036 3.59281
23 1GT4 UNA 0.01766 0.40298 3.77358
24 4QRH 0O2 0.0082 0.41363 3.80952
25 5N87 N66 0.01858 0.408 3.83387
26 2C0U FAD NBT 0.03209 0.41151 3.87244
27 1K0E TRP 0.01747 0.41037 3.89222
28 3GXO MQA 0.007242 0.40456 3.89222
29 4BR5 ANP 0.03889 0.40318 3.89222
30 1UNB AKG 0.01552 0.40183 3.89222
31 1UNB PN1 0.01705 0.40183 3.89222
32 5MJA 7O3 0.006614 0.41282 3.93443
33 1NYW DAU 0.005877 0.43995 4.06091
34 2DDQ HRB 0.003486 0.40832 4.22535
35 3ZXE PGZ 0.02394 0.40833 4.51128
36 4IAW LIZ 0.01739 0.41167 5.08982
37 3WMX THR 0.007671 0.40767 5.38922
38 1EWJ BLM 0.04665 0.40079 5.55556
39 2XK9 XK9 0.007848 0.43558 5.59006
40 4KCF AKM 0.007985 0.42434 5.98802
41 4EVQ PHB 0.007885 0.4134 5.98802
42 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 0.02598 0.41137 6
43 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 0.03403 0.41627 6.06061
44 5C9J DAO 0.02055 0.40347 6.06061
45 4NG2 OHN 0.00233 0.47515 6.19469
46 5VNF VAL THR SER VAL VAL 0.002128 0.43866 6.28743
47 2HZQ STR 0.005415 0.4194 6.32184
48 4RFR RHN 0.0002685 0.49988 6.40394
49 3U3U EAH 0.005904 0.43072 6.43777
50 2Z77 HE7 0.02769 0.40883 6.47482
51 5HCY 60D 0.02812 0.41088 7.18563
52 3KPB SAM 0.03035 0.41077 7.37705
53 3PP0 03Q 0.009066 0.41467 7.48503
54 3RUG DB6 0.006598 0.46766 8.08081
55 3SCM LGN 0.01445 0.44565 8.08081
56 3G08 FEE 0.0193 0.42349 8.08081
57 3QUZ QUV 0.04378 0.40273 8.08081
58 1LFO OLA 0.004106 0.43537 8.59375
59 5J8O 6GZ 0.01014 0.40806 8.87097
60 3EW2 BTN 0.01269 0.40406 8.88889
61 4FHD EEM 0.01577 0.4373 8.96739
62 4FHD 0TT 0.01577 0.4373 8.96739
63 2Y6Q I7T 0.04852 0.40295 9.28144
64 3HUJ AGH 0.03207 0.42039 9.7561
65 3BXO UPP 0.01517 0.41894 10.0418
66 3FW4 CAQ 0.03649 0.40952 10.1124
67 3T50 FMN 0.02424 0.40373 10.1562
68 4QYN RTL 0.0161 0.40412 10.5263
69 1WBI BTN 0.003247 0.44173 10.8527
70 2INV FRU FRU 0.01571 0.40217 11.6766
71 4K3H 1OM 0.01762 0.40459 12.7119
72 3VMG 9CA 0.01804 0.4074 13.0435
73 3L9R L9R 0.0153 0.43203 13.2653
74 3L9R L9Q 0.02391 0.41293 13.2653
75 3ZW2 NAG GAL FUC 0.008497 0.41962 13.7931
76 4WN5 MVC 0.02575 0.40124 13.913
77 2FTB OLA 0.001055 0.47704 17.6
78 4XJC TTP 0.02654 0.40113 19.209
79 2IV2 2MD 0.02792 0.40748 20.0599
Pocket No.: 2; Query (leader) PDB : 1JL0; Ligand: PUT; 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: 1jl0.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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