Receptor
PDB id Resolution Class Description Source Keywords
2JBM 2 Å EC: 2.4.2.19 QPRTASE STRUCTURE FROM HUMAN HOMO SAPIENS NAD ENZYME METABOLISM TRANSFERASE POLYMORPHISM GLYCOSYLTRANSFERASE PYRIDINE NUCLEOTIDE BIOSYNTHESIS
Ref.: STRUCTURAL AND KINETIC CHARACTERIZATION OF QUINOLINATE PHOSPHORIBOSYLTRANSFERASE (HQPRTASE) FROM HOMO SAPIENS. J.MOL.BIOL. V. 373 755 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SRT A:401;
B:401;
C:401;
D:401;
E:401;
F:401;
G:401;
H:401;
I:401;
J:401;
K:401;
L:401;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
150.087 C4 H6 O6 [C@H]...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2JBM 2 Å EC: 2.4.2.19 QPRTASE STRUCTURE FROM HUMAN HOMO SAPIENS NAD ENZYME METABOLISM TRANSFERASE POLYMORPHISM GLYCOSYLTRANSFERASE PYRIDINE NUCLEOTIDE BIOSYNTHESIS
Ref.: STRUCTURAL AND KINETIC CHARACTERIZATION OF QUINOLINATE PHOSPHORIBOSYLTRANSFERASE (HQPRTASE) FROM HOMO SAPIENS. J.MOL.BIOL. V. 373 755 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2JBM - SRT C4 H6 O6 [C@H]([C@H....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2JBM - SRT C4 H6 O6 [C@H]([C@H....
2 4I9A - NCN C11 H14 N O9 P c1cc(c[n+]....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2JBM - SRT C4 H6 O6 [C@H]([C@H....
2 3C2R Kd = 0.78 mM PHT C8 H6 O4 c1ccc(c(c1....
3 3C2F Kd = 10.1 mM PRP C5 H13 O14 P3 C([C@@H]1[....
4 3C2O Kd = 0.45 mM NTM C7 H5 N O4 c1cc(c(nc1....
5 3C2V Kd = 0.78 mM PHT C8 H6 O4 c1ccc(c(c1....
6 4I9A - NCN C11 H14 N O9 P c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SRT; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 SRT 1 1
2 TLA 1 1
3 TAR 1 1
4 RAT 0.588235 1
5 GAE 0.588235 1
6 LGT 0.588235 1
7 LAC 0.5 0.611111
8 2OP 0.5 0.611111
9 IPM 0.47619 0.8
10 LFC 0.434783 0.777778
11 ICT 0.416667 0.727273
12 DXX 0.411765 0.777778
13 MAK 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2JBM; Ligand: SRT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2jbm.bio2) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2JBM; Ligand: SRT; 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: 2jbm.bio2) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2JBM; Ligand: SRT; 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: 2jbm.bio2) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2JBM; Ligand: SRT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2jbm.bio2) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2JBM; Ligand: SRT; Similar sites found: 63
This union binding pocket(no: 5) in the query (biounit: 2jbm.bio2) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4R81 FMN 0.02784 0.40364 1.45631
2 2DDH FAD 0.01867 0.41746 1.67224
3 4C5N ACP 0.04635 0.40312 1.81159
4 3OCZ SRA 0.01394 0.40194 1.9084
5 4JYD SAH 0.01003 0.42198 2.00669
6 1PK8 ATP 0.01941 0.40851 2.1327
7 2PT9 S4M 0.01002 0.43219 2.67559
8 2WBP ZZU 0.01559 0.4047 2.67559
9 2WBP SIN 0.01559 0.4047 2.67559
10 4URG C2E 0.003387 0.41966 2.99401
11 4CCO OGA 0.003475 0.43123 3.01003
12 2WMH GAL FUC 0.009469 0.41304 3.01003
13 4CCK OGA 0.005033 0.41004 3.01003
14 1REQ DCA 0.02914 0.40757 3.01003
15 2F5X ASP 0.01961 0.4053 3.01003
16 4KXQ APR 0.003228 0.46421 3.20285
17 3PJU C2E 0.007496 0.42733 3.21285
18 4HDH ATP 0.0342 0.41603 3.34448
19 1VPV PLM 0.01353 0.40876 3.34448
20 2GQ2 NAP 0.03058 0.40029 3.48837
21 4BXF AKG 0.002593 0.43183 3.67893
22 5GXU FMN 0.006101 0.4162 3.67893
23 1CZA GLC 0.01229 0.41332 3.67893
24 3UMV FAD 0.01977 0.41305 3.67893
25 4E1O PLP PVH 0.03082 0.41233 3.67893
26 4LA7 A1O 0.01616 0.406 3.67893
27 1QGQ UDP 0.01399 0.40248 3.92157
28 4YNM SAM 0.04568 0.4 3.9823
29 3JSX FAD 0.02519 0.4117 4.01338
30 3JSX CC2 0.0381 0.4117 4.01338
31 4ZO3 C6L 0.03129 0.40143 4.08163
32 5N2D 8J8 0.00741 0.40839 4.16667
33 2YJ0 420 0.04937 0.41482 4.34783
34 5EOU ATP 0.04195 0.4024 4.34783
35 1H74 ILE 0.01573 0.41546 4.39189
36 1H74 ADP 0.02328 0.41326 4.39189
37 4XJC TTP 0.01074 0.42528 4.51977
38 5EP2 AZU 0.01211 0.41015 4.6875
39 4U0W 16G 0.0228 0.41315 4.87805
40 1JXZ BCA 0.0129 0.42549 5.20446
41 1NZY BCA 0.0138 0.4237 5.20446
42 2VG1 FPP 0.01663 0.40311 5.26316
43 3P7N FMN 0.02739 0.4177 5.81395
44 3FYS PLM 0.02156 0.41335 6.03175
45 5VSM MET 0.009605 0.43236 6.35452
46 4X60 SFG 0.03591 0.42344 6.35452
47 5DY5 5GR 0.04697 0.41578 6.35452
48 2C0U FAD NBT 0.02597 0.40716 7.69231
49 1SAZ ACP 0.01012 0.41904 8.3612
50 1WDK ACO 0.01309 0.41477 8.3612
51 4BVM VCA 0.01447 0.41244 9.02256
52 4BVM PLM 0.01359 0.41244 9.02256
53 5FA6 FAD 0.01376 0.43968 9.699
54 5FA6 NAP 0.01403 0.43968 9.699
55 5FA6 FMN 0.01376 0.43968 9.699
56 5D48 L96 0.01234 0.4233 9.86842
57 2XIQ MLC 0.01539 0.41226 11.3712
58 1XS1 DUT 0.006412 0.44725 11.9171
59 2QS8 MET 0.01019 0.41092 12.3746
60 4CCN OGA 0.003566 0.42075 22.8571
61 5TH5 MET 0.008558 0.41261 24.4147
62 4GQB 0XU 0.02583 0.41875 31.8182
63 5FA5 MTA 0.02426 0.40845 35
64 4A2A ATP 0.0118 0.40897 50
Pocket No.: 6; Query (leader) PDB : 2JBM; Ligand: SRT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2jbm.bio2) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2JBM; Ligand: SRT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2jbm.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2JBM; Ligand: SRT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2jbm.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2JBM; Ligand: SRT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 2jbm.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 2JBM; Ligand: SRT; Similar sites found: 26
This union binding pocket(no: 10) in the query (biounit: 2jbm.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4LXQ FON 0.0434 0.40678 1.82482
2 4LXQ TYD 0.0434 0.40678 1.82482
3 4YBN FAD 0.01525 0.4175 2.23214
4 3HDY FDA 0.0349 0.41379 2.34114
5 3MJH GTP 0.02328 0.42213 2.38095
6 2IHK CSF 0.03262 0.41496 2.50627
7 1KYZ SAH 0.00393 0.4223 2.67559
8 4CMF PXG 0.001928 0.44586 3.01003
9 2VUT NAD 0.02522 0.41151 3.01003
10 4F0B GDS 0.02037 0.42249 3.125
11 5XSS XYP 0.006864 0.40677 4.01338
12 2C5S AMP 0.006831 0.40596 4.68227
13 3L9W GSH 0.02575 0.41111 5.68562
14 1W07 FAD 0.02708 0.40592 5.68562
15 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.007582 0.43829 6.02007
16 1VGR COA 0.02509 0.42526 6.35452
17 4DHY GLC 0.01033 0.40705 6.68896
18 2FY3 CHT 0.04855 0.41739 7.69231
19 4CKU P2F 0.02032 0.40419 7.69231
20 3IAL PR8 0.02225 0.41945 10.0334
21 3JUQ AKD 0.03456 0.40124 10.2703
22 3JUQ AJD 0.03276 0.40124 10.2703
23 3ZW2 NAG GAL FUC 0.02494 0.41285 14.9425
24 2QIA U20 0.006336 0.42894 15.2672
25 5KY3 GFB 0.02371 0.41812 17.5
26 1GT4 UNA 0.006413 0.41326 19.4969
Pocket No.: 11; Query (leader) PDB : 2JBM; Ligand: SRT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 2jbm.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 2JBM; Ligand: SRT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 2jbm.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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