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Receptor
PDB id Resolution Class Description Source Keywords
2B7N 2.3 Å EC: 2.4.2.19 CRYSTAL STRUCTURE OF QUINOLINIC ACID PHOSPHORIBOSYLTRANSFERA HELICOBACTER PYLORI HELICOBACTER PYLORI QUINOLINATE PHOSPHORIBOSYLTRANSFERASE QUINOLINIC ACID HELIPYLORI TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF QUINOLINIC ACID PHOSPHORIBOSYLTRANSFERASE FROM HELICOBACTER PYLORI PROTEINS V. 63 252 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NTM A:1001;
B:1002;
C:1003;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
167.119 C7 H5 N O4 c1cc(...
SO4 A:2003;
B:2002;
C:2001;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2B7N 2.3 Å EC: 2.4.2.19 CRYSTAL STRUCTURE OF QUINOLINIC ACID PHOSPHORIBOSYLTRANSFERA HELICOBACTER PYLORI HELICOBACTER PYLORI QUINOLINATE PHOSPHORIBOSYLTRANSFERASE QUINOLINIC ACID HELIPYLORI TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF QUINOLINIC ACID PHOSPHORIBOSYLTRANSFERASE FROM HELICOBACTER PYLORI PROTEINS V. 63 252 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2B7N - NTM C7 H5 N O4 c1cc(c(nc1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2B7N - NTM C7 H5 N O4 c1cc(c(nc1....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2B7N - NTM C7 H5 N O4 c1cc(c(nc1....
2 1QPQ - NTM C7 H5 N O4 c1cc(c(nc1....
3 1QPR - PHT C8 H6 O4 c1ccc(c(c1....
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 : 2B7N; Ligand: NTM; Similar sites found with APoc: 15
This union binding pocket(no: 1) in the query (biounit: 2b7n.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5KK4 44E None
2 1KOJ PAN 1.8315
3 1NAA 6FA 2.9304
4 1NAA ABL 2.9304
5 4KQI RBZ 2.9304
6 2FR1 NDP 3.663
7 4J7U YTZ 4.0293
8 4J7U NAP 4.0293
9 4N7U 2JA 4.73684
10 1DR1 NAP 4.7619
11 1DR1 HBI 4.7619
12 3AY6 NAI 4.83271
13 1RDT L79 7.32601
14 1P4A PCP 9.52381
15 5E9G GLV 10.2564
Pocket No.: 2; Query (leader) PDB : 2B7N; 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: 2) in the query (biounit: 2b7n.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2B7N; Ligand: NTM; Similar sites found with APoc: 27
This union binding pocket(no: 3) in the query (biounit: 2b7n.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4C5N PXL None
2 4C5N ACP None
3 3LXK MI1 1.8315
4 4XDA RIB 1.8315
5 4XDA ADP 1.8315
6 4YAG NAI 2.1978
7 3Q60 ATP 2.1978
8 2I6A 5I5 2.5641
9 1OAA OAA 2.7027
10 2ABS ACP 2.87206
11 1LOR BMP 3.07018
12 1NML CIT 3.2967
13 4JYD SAH 3.73563
14 2WQP WQP 4.0293
15 2BRY FAD 4.0293
16 5YRG BGC GLC 4.22535
17 3WD1 ST7 4.3956
18 3DAA PDD 4.3956
19 1T90 NAD 4.7619
20 1XF1 CIT 5.12821
21 3H0A 9RA 7.35294
22 3LL5 IPE 9.63855
23 3LL5 ADP 9.63855
24 5MR6 FAD 11.7216
25 2TPS TPS 16.2996
26 2XIQ MLC 17.2161
27 3PNL ADP 17.5355
Pocket No.: 4; Query (leader) PDB : 2B7N; 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: 2b7n.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2B7N; Ligand: NTM; Similar sites found with APoc: 45
This union binding pocket(no: 5) in the query (biounit: 2b7n.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3R5W F42 None
2 2DTX BMA 1.13636
3 3COW 52H 1.8315
4 3RIY NAD 1.8315
5 4R84 CSF 2.1978
6 1GS5 NLG 2.32558
7 1GS5 ANP 2.32558
8 1ADO 13P 2.5641
9 1J09 ATP 2.5641
10 1J09 GLU 2.5641
11 1OMO NAD 2.5641
12 3ZV6 4HB 2.9304
13 3ZV6 NAD 2.9304
14 3I9G S1P 3.15315
15 1LBF 137 3.23887
16 3C1M ANP 3.2967
17 3R5T VBN 3.2967
18 4CE5 PDG 3.663
19 4Z87 GDP 3.663
20 5MBC FMN 3.663
21 4UUG PXG 3.663
22 5GWT SIN 4.0293
23 6G34 5ID 4.20168
24 5YRM BGC GLC 4.22535
25 4B8V NDG NAG NAG NAG 4.82456
26 3AY6 BGC 4.83271
27 3QUR ADP 5.49451
28 3QUR FM4 5.49451
29 1DQX BMP 5.61798
30 4M8E 29V 5.62771
31 4POJ 2VP 5.62771
32 3P2E SAH 5.86081
33 1KPG SAH 6.59341
34 1N1D C2G 6.97674
35 4FC7 NAP 8.05861
36 4FC7 COA 8.05861
37 2R42 FPS 8.05861
38 1P6O HPY 8.69565
39 2ZRU FMN 9.15751
40 2BYC FMN 9.48905
41 4U0W 16G 11.3821
42 2AE2 PTO 12.3077
43 2AE2 NAP 12.3077
44 2GJP BGC GLC DAF GLC GLC GLC DAF 18.6813
45 4TW7 37K 22.6562
Pocket No.: 6; Query (leader) PDB : 2B7N; 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: 2b7n.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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