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Receptor
PDB id Resolution Class Description Source Keywords
4NTM 2.05 Å EC: 4.1.2.50 QUED SOAKED WITH SEPIAPTERIN (SELENOMETHIONINE SUBSTITUTED P ESCHERICHIA COLI T-FOLD 6-PTPS QUEUOSINE BIOSYNTHESIS ENZYME SEPIAPTERIN
Ref.: BIOCHEMICAL AND STRUCTURAL STUDIES OF 6-CARBOXY-5,6,7,8-TETRAHYDROPTERIN SYNTHASE REVEAL MOLECULAR BASIS OF CATALYTIC PROMISCUITY WITHIN THE TUNNEL-FOLD SUPERFAMILY. J.BIOL.CHEM. V. 289 23641 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN C:201;
B:201;
D:201;
A:201;
F:201;
E:201;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
2K8 E:202;
F:202;
A:202;
C:202;
B:202;
D:202;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
211.178 C7 H9 N5 O3 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NTM 2.05 Å EC: 4.1.2.50 QUED SOAKED WITH SEPIAPTERIN (SELENOMETHIONINE SUBSTITUTED P ESCHERICHIA COLI T-FOLD 6-PTPS QUEUOSINE BIOSYNTHESIS ENZYME SEPIAPTERIN
Ref.: BIOCHEMICAL AND STRUCTURAL STUDIES OF 6-CARBOXY-5,6,7,8-TETRAHYDROPTERIN SYNTHASE REVEAL MOLECULAR BASIS OF CATALYTIC PROMISCUITY WITHIN THE TUNNEL-FOLD SUPERFAMILY. J.BIOL.CHEM. V. 289 23641 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4NTM - 2K8 C7 H9 N5 O3 C1[C@@H](N....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4NTM - 2K8 C7 H9 N5 O3 C1[C@@H](N....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4NTM - 2K8 C7 H9 N5 O3 C1[C@@H](N....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2K8; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 2K8 1 1
2 B62 0.54717 0.85
3 44V 0.54717 0.85
4 BHS 0.534483 0.903226
5 H4B 0.534483 0.903226
6 ZZZ 0.527273 0.913793
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4NTM; Ligand: 2K8; Similar sites found with APoc: 32
This union binding pocket(no: 1) in the query (biounit: 4ntm.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3BP1 GUN 1.65289
2 1SQL GUN 1.65289
3 3OIX FMN 1.65289
4 4YRD 3IT 1.65289
5 5H4S RAM 1.65289
6 1WUR 8DG 2.47934
7 1EU1 MGD 3.30579
8 3QF7 ANP 4
9 3HRD NIO 4.95868
10 3C3N FMN 4.95868
11 4WZH FMN 4.95868
12 3MJY IJZ 4.95868
13 3MJY FMN 4.95868
14 1A8R GTP 4.95868
15 2B56 U5P 4.95868
16 1NBU PH2 5.04202
17 1DCP HBI 5.76923
18 4FGC PQ0 5.78512
19 5YLF BGC 5.78512
20 4N8I COA 5.78512
21 1QPB TPP 8.26446
22 5GZZ GSH 9.09091
23 1OVD ORO 9.91736
24 1OVD FMN 9.91736
25 2QRD ATP 12.3711
26 3A75 GLU 12.3967
27 6F9G PUT 14.0496
28 1EP2 FMN 19.8347
29 5XQL C2E 21.4876
30 4D06 X8W 23.9669
31 2A0S BIO 31.405
32 1Y13 BIO 37.1901
Pocket No.: 2; Query (leader) PDB : 4NTM; Ligand: 2K8; Similar sites found with APoc: 7
This union binding pocket(no: 2) in the query (biounit: 4ntm.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1IS3 LAT 1.65289
2 1PK8 ATP 4.13223
3 1YC5 NCA 4.13223
4 5DY5 5GR 4.95868
5 6F5W KG1 5.78512
6 5XFV FMN 5.78512
7 1GJW GLC 14.0496
Pocket No.: 3; Query (leader) PDB : 4NTM; Ligand: 2K8; Similar sites found with APoc: 6
This union binding pocket(no: 3) in the query (biounit: 4ntm.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1FUR MLT 4.95868
2 1TMM APC 7.43802
3 1TMM HHR 7.43802
4 6AC9 ANP 8.26446
5 3WLV AZA 9.09091
6 4JX1 CAM 9.73451
Pocket No.: 4; Query (leader) PDB : 4NTM; Ligand: 2K8; Similar sites found with APoc: 4
This union binding pocket(no: 4) in the query (biounit: 4ntm.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1DBT U5P None
2 5JFL NAD 6.61157
3 4YEF 4CQ 8.98876
4 1GZW GAL BGC 9.09091
Pocket No.: 5; Query (leader) PDB : 4NTM; Ligand: 2K8; Similar sites found with APoc: 13
This union binding pocket(no: 5) in the query (biounit: 4ntm.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2WU6 DKI 3.30579
2 3GWZ SAH 4.13223
3 3ZS9 ADP ALF 6.61157
4 5UQD AKG 6.61157
5 6BXI ANP 6.61157
6 2AJ4 ANP 6.61157
7 4NJS G08 8.08081
8 1QPB PYM 8.26446
9 1H16 DTL 16.5289
10 2A2C NG1 23.1405
11 2A2C ADP 23.1405
12 4YMJ 4EJ 23.1405
13 4CYI ATP 26.4463
Pocket No.: 6; Query (leader) PDB : 4NTM; Ligand: 2K8; Similar sites found with APoc: 7
This union binding pocket(no: 6) in the query (biounit: 4ntm.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5ETR APC None
2 5ETR 5RW None
3 4B4U NAP 4.13223
4 2Z3U CRR 4.95868
5 2J73 GLC GLC GLC 5.82524
6 2XVD AS6 7.43802
7 5U9J GER 9.09091
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