Receptor
PDB id Resolution Class Description Source Keywords
3N29 1.9 Å EC: 4.-.-.- CRYSTAL STRUCTURE OF CARBOXYNORSPERMIDINE DECARBOXYLASE COMP NORSPERMIDINE FROM CAMPYLOBACTER JEJUNI CAMPYLOBACTER JEJUNI SUBSP. JEJUNI 811ORGANISM_TAXID: 407148 LYASE
Ref.: EVOLUTION OF SUBSTRATE SPECIFICITY WITHIN A DIVERSE OF BETA/ALPHA-BARREL-FOLD BASIC AMINO ACID DECARBOX X-RAY STRUCTURE DETERMINATION OF ENZYMES WITH SPECI FOR L-ARGININE AND CARBOXYNORSPERMIDINE. J.BIOL.CHEM. V. 285 25708 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1003;
B:1003;
Valid;
Valid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NSD A:1002;
Valid;
none;
submit data
131.219 C6 H17 N3 C(CN)...
PLP A:1001;
B:1001;
Invalid;
Invalid;
none;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3N29 1.9 Å EC: 4.-.-.- CRYSTAL STRUCTURE OF CARBOXYNORSPERMIDINE DECARBOXYLASE COMP NORSPERMIDINE FROM CAMPYLOBACTER JEJUNI CAMPYLOBACTER JEJUNI SUBSP. JEJUNI 811ORGANISM_TAXID: 407148 LYASE
Ref.: EVOLUTION OF SUBSTRATE SPECIFICITY WITHIN A DIVERSE OF BETA/ALPHA-BARREL-FOLD BASIC AMINO ACID DECARBOX X-RAY STRUCTURE DETERMINATION OF ENZYMES WITH SPECI FOR L-ARGININE AND CARBOXYNORSPERMIDINE. J.BIOL.CHEM. V. 285 25708 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 38 families.
1 3N29 - NSD C6 H17 N3 C(CN)CNCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 3N29 - NSD C6 H17 N3 C(CN)CNCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 3N29 - NSD C6 H17 N3 C(CN)CNCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GOL; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 GOL 1 1
2 SGM 0.538462 0.85
3 PGO 0.5 0.666667
4 DTL 0.5 0.863636
5 PGR 0.5 0.666667
6 MRY 0.5 0.863636
7 03W 0.461538 0.818182
8 SGL 0.4375 0.703704
9 MTL 0.4 0.904762
10 RB0 0.4 0.863636
11 XYL 0.4 0.863636
12 SOR 0.4 0.904762
Ligand no: 2; Ligand: NSD; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 NSD 1 1
2 SPM 0.833333 0.913043
3 SPD 0.75 0.913043
4 SS9 0.6 0.875
5 37Z 0.6 0.826087
6 Q9C 0.483871 0.65625
7 SP5 0.454545 0.65625
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3N29; Ligand: GOL; Similar sites found: 32
This union binding pocket(no: 1) in the query (biounit: 3n29.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1JAK IFG 0.009466 0.41726 0.956938
2 2D7I NGA 0.01214 0.40296 1.67464
3 3SXN COA 0.02721 0.41735 2.87081
4 1CZR FMN 0.02575 0.40792 2.95858
5 2C6Q NDP 0.04221 0.40257 3.4188
6 1PIG AGL GLC HMC AGL GLC BGC 0.02047 0.43714 3.82775
7 1TFZ 869 0.02976 0.4031 3.82775
8 2X34 UQ8 0.03974 0.41007 3.8674
9 1FP1 HCC 0.03733 0.40284 4.03226
10 1TU3 GNP 0.0211 0.41721 4.09357
11 1J0D 5PA 0.01203 0.42591 4.10557
12 5TUZ 7L6 0.04959 0.40176 4.21456
13 5TUZ SAM 0.04959 0.40176 4.21456
14 2FCR FMN 0.02077 0.40361 4.62428
15 2EV9 NAP 0.01317 0.41926 5.32319
16 4RYD 2UE ARG TBG ARG 00S 0.02965 0.40969 5.50239
17 1EK0 GNP 0.03527 0.40954 5.98086
18 4IBF 1D5 0.02196 0.41603 6.20155
19 1DLJ NAI 0.01316 0.47489 6.45933
20 2PA4 UPG 0.01005 0.40738 7.12074
21 2X32 OTP 0.02065 0.42907 7.26257
22 2HVW DCP 0.01031 0.40356 10.8696
23 3BY9 SIN 0.008128 0.41508 11.5385
24 3T6E UQ9 0.02925 0.41161 11.6279
25 2QTV GNP 0.01063 0.4371 12.2449
26 2Q4V ACO 0.04571 0.40031 14.1176
27 5URV NER 0.01377 0.40398 15.5405
28 1M2O GNP 0.01962 0.40334 15.7895
29 3DOE GTP 0.04207 0.40306 17.5758
30 1AQU A3P 0.04312 0.40433 19.5286
31 1R4A GNP 0.02428 0.42799 19.6078
32 1QXW M1C 0.0129 0.43353 26.9841
Pocket No.: 2; Query (leader) PDB : 3N29; Ligand: NSD; Similar sites found: 15
This union binding pocket(no: 2) in the query (biounit: 3n29.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3S5Y DGJ 0.01984 0.40364 1.00503
2 3NJ4 AFX 0.04772 0.42457 1.43541
3 3E7O 35F 0.02825 0.41871 1.66667
4 1J0I GLC GLC GLC 0.01385 0.40739 2.39234
5 1WVG CXY 0.03098 0.42393 4.45682
6 1GSA ADP 0.02138 0.40712 5.06329
7 5F3I 5UJ 0.0113 0.43835 5.27778
8 3VOT ADP 0.003689 0.43316 5.74163
9 2NVA PL2 0.002265 0.447 6.1828
10 4B6C B5U 0.01057 0.42581 6.63265
11 1QJI PKF 0.006489 0.41845 7
12 4PSB GA3 0.02526 0.41665 7.74194
13 4IS0 1R4 0.0309 0.42408 8.71369
14 1EDO NAP 0.03043 0.40756 15.5738
15 1TUF AZ1 0.0001421 0.51909 39.4737
Pocket No.: 3; Query (leader) PDB : 3N29; Ligand: GOL; 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: 3n29.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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