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Receptor
PDB id Resolution Class Description Source Keywords
3C2O 2.3 Å EC: 2.4.2.19 CRYSTAL STRUCTURE OF THE QUINOLINATE PHOSPHORIBOSYL TRANSFER FROM SACHHAROMYCES CEREVISIAE COMPLEXED WITH QUINOLINATE SACCHAROMYCES CEREVISIAE QPRTASE PRTASE BNA6 QUINOLINATE CYTOPLASM GLYCOSYLTRANSNUCLEUS PYRIDINE NUCLEOTIDE BIOSYNTHESIS TRANSFERASE
Ref.: COMPREHENSIVE X-RAY STRUCTURAL STUDIES OF THE QUINO PHOSPHORIBOSYL TRANSFERASE (BNA6) FROM SACCHAROMYCE CEREVISIAE. BIOCHEMISTRY V. 47 4039 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NTM A:300;
Valid;
none;
Kd = 0.45 mM
167.119 C7 H5 N O4 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3C2O 2.3 Å EC: 2.4.2.19 CRYSTAL STRUCTURE OF THE QUINOLINATE PHOSPHORIBOSYL TRANSFER FROM SACHHAROMYCES CEREVISIAE COMPLEXED WITH QUINOLINATE SACCHAROMYCES CEREVISIAE QPRTASE PRTASE BNA6 QUINOLINATE CYTOPLASM GLYCOSYLTRANSNUCLEUS PYRIDINE NUCLEOTIDE BIOSYNTHESIS TRANSFERASE
Ref.: COMPREHENSIVE X-RAY STRUCTURAL STUDIES OF THE QUINO PHOSPHORIBOSYL TRANSFERASE (BNA6) FROM SACCHAROMYCE CEREVISIAE. BIOCHEMISTRY V. 47 4039 2008
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3C2R Kd = 0.78 mM PHT C8 H6 O4 c1ccc(c(c1....
2 3C2F Kd = 10.1 mM PRP C5 H13 O14 P3 C([C@@H]1[....
3 3C2O Kd = 0.45 mM NTM C7 H5 N O4 c1cc(c(nc1....
4 3C2V Kd = 0.78 mM PHT C8 H6 O4 c1ccc(c(c1....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3C2R Kd = 0.78 mM PHT C8 H6 O4 c1ccc(c(c1....
2 3C2F Kd = 10.1 mM PRP C5 H13 O14 P3 C([C@@H]1[....
3 3C2O Kd = 0.45 mM NTM C7 H5 N O4 c1cc(c(nc1....
4 3C2V Kd = 0.78 mM PHT C8 H6 O4 c1ccc(c(c1....
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: NTM; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 NTM 1 1
2 1WD 0.513514 0.666667
3 3GQ 0.4 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3C2O; Ligand: NTM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3c2o.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3C2O; Ligand: NTM; Similar sites found with APoc: 91
This union binding pocket(no: 2) in the query (biounit: 3c2o.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
1 2P7Q GG6 None
2 4C1K PEP 1.52672
3 1KKR 2AS 1.70068
4 4XFR CIT 1.70068
5 1SR9 KIV 2.04082
6 3U6W KIV 2.04082
7 5IDM ANP 2.23464
8 1RJW ETF 2.38095
9 3PPQ CHT 2.38095
10 3TFC PEP 2.38095
11 1SGJ OAA 2.46479
12 6FC1 MGP 2.59067
13 4B1M FRU FRU 2.7027
14 1BW9 NAD 2.72109
15 2ZUX RAM 2.72109
16 4NZF ARB 2.72109
17 3HCH RSM 2.73973
18 1O68 KIV 2.90909
19 4Z7X 3CX 2.94118
20 4B1L FRU 3.0303
21 1M3U KPL 3.0303
22 1TZD ADP 3.06122
23 1UAS GLA 3.06122
24 4DS0 A2G GAL NAG FUC 3.06748
25 5AHO TLA 3.40136
26 3A23 GAL 3.40136
27 2R5V HHH 3.40136
28 5YSN 5AD 3.7415
29 5DNK SAH 3.7415
30 1UJP CIT 4.05904
31 3A16 PXO 4.08163
32 2HW1 FRU 4.08163
33 3DXY SAM 4.12844
34 6E1Q CFA 4.42177
35 2X1E X1E 4.42177
36 1L5Y BEF 4.51613
37 3A76 SPD 4.54545
38 4LIT AKG 4.7619
39 5AHN IMP 4.7619
40 1OF8 PEP 4.7619
41 1SDW IYT 5.10204
42 4Z87 GDP 5.10204
43 2VT3 ATP 5.11628
44 3G89 SAM 5.22088
45 3EGI ADP 5.33981
46 3CF6 SP1 5.38922
47 2FKA BEF 5.42636
48 1DBT U5P 5.43933
49 3FGZ BEF 5.46875
50 3GVL SLB 5.67164
51 4CIB 7UZ 5.78231
52 3GJ4 GDP 5.88235
53 5YRM BGC GLC 6.33803
54 5YRV 5AD 6.46258
55 1DQX BMP 6.74157
56 1XF1 CIT 6.80272
57 2HZQ STR 6.89655
58 3GCM 5GP 7.31707
59 3ZGJ RMN 7.48299
60 4HKP TKW 7.48299
61 2AOT SAH 7.53425
62 3SBZ MLI 7.93651
63 4WCX MET 8.16327
64 1Z0N BCD 8.33333
65 1VKF CIT 8.51064
66 2P0D I3P 8.52713
67 4IF4 BEF 8.65385
68 5XQW 8EU 8.75576
69 4YEE 4CQ 8.88889
70 3WG3 A2G GAL NAG FUC 8.98876
71 5OCG 9R5 8.99471
72 4RW3 IPD 9.27152
73 2ZE3 AKG 9.45455
74 6FA4 D1W 9.82659
75 1U25 IHS 9.86395
76 5ABX MGP 10
77 4UEC MGT 10.2564
78 5M8T 0TR 10.8844
79 5C9J DAO 11.1111
80 2J0V GDP 11.3208
81 1R6N 434 11.3744
82 1RZM PEP 11.5646
83 5T46 MGP 12.1212
84 3H0L ADP 12.766
85 1W8S FBP 13.6882
86 6F4W FMC 13.7339
87 2CDO GAL AAL GAL AAL GAL AAL 23.75
88 2BOS GLA GAL GLC 33.8235
89 2BOS GLA GAL 33.8235
90 3M94 M7M 35.2941
91 2V8W MGO 42.8571
Pocket No.: 3; Query (leader) PDB : 3C2O; Ligand: NTM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3c2o.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3C2O; Ligand: NTM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3c2o.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3C2O; Ligand: NTM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3c2o.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3C2O; Ligand: NTM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3c2o.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
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