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Receptor
PDB id Resolution Class Description Source Keywords
2WM1 2.01 Å EC: 4.1.1.45 THE CRYSTAL STRUCTURE OF HUMAN ALPHA-AMINO-BETA- CARBOXYMUCONATE-EPSILON-SEMIALDEHYDE DECARBOXYLASE IN C OMPLEX WITH 1,3- DIHYDROXYACETONEPHOSPHATE SUGGESTS A RE GULATORY LINK BETWEEN NAD SYNTHESIS AND GLYCOLYSIS HOMO SAPIENS NEUROLOGICAL DISORDERS METAL-DEPENDENT AMIDOHYDROLASE KYNURENINE PATHWAY ALTERNATIVE SPLICING QUINOLINIC ACID NAD BIOSYNTHESIS CEREBRAL MALARIA LYASE DECARBOXYLASE PICOLINIC ACID PHOSPHOPROTEIN
Ref.: THE CRYSTAL STRUCTURE OF HUMAN ALPHA-AMINO-BETA-CARBOXYMUCONATE-EPSILON-SEMIALDEHYDE DECARBOXYLASE IN COMPLEX WITH 1,3-DIHYDROXYACETONEPHOSPHATE SUGGESTS A REGULATORY LINK BETWEEN NAD SYNTHESIS AND GLYCOLYSIS FEBS J. V. 276 661
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
13P A:1334;
Valid;
none;
submit data
170.058 C3 H7 O6 P C(C(=...
GOL A:1335;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ZN A:1333;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WM1 2.01 Å EC: 4.1.1.45 THE CRYSTAL STRUCTURE OF HUMAN ALPHA-AMINO-BETA- CARBOXYMUCONATE-EPSILON-SEMIALDEHYDE DECARBOXYLASE IN C OMPLEX WITH 1,3- DIHYDROXYACETONEPHOSPHATE SUGGESTS A RE GULATORY LINK BETWEEN NAD SYNTHESIS AND GLYCOLYSIS HOMO SAPIENS NEUROLOGICAL DISORDERS METAL-DEPENDENT AMIDOHYDROLASE KYNURENINE PATHWAY ALTERNATIVE SPLICING QUINOLINIC ACID NAD BIOSYNTHESIS CEREBRAL MALARIA LYASE DECARBOXYLASE PICOLINIC ACID PHOSPHOPROTEIN
Ref.: THE CRYSTAL STRUCTURE OF HUMAN ALPHA-AMINO-BETA-CARBOXYMUCONATE-EPSILON-SEMIALDEHYDE DECARBOXYLASE IN COMPLEX WITH 1,3-DIHYDROXYACETONEPHOSPHATE SUGGESTS A REGULATORY LINK BETWEEN NAD SYNTHESIS AND GLYCOLYSIS FEBS J. V. 276 661
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2WM1 - 13P C3 H7 O6 P C(C(=O)COP....
2 4IH3 - PDC C7 H5 N O4 c1cc(nc(c1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2WM1 - 13P C3 H7 O6 P C(C(=O)COP....
2 4IH3 - PDC C7 H5 N O4 c1cc(nc(c1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2WM1 - 13P C3 H7 O6 P C(C(=O)COP....
2 4IH3 - PDC C7 H5 N O4 c1cc(nc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 13P; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 13P 1 1
2 PGA 0.5 0.818182
3 HPV 0.4375 0.90625
4 PGH 0.424242 0.622222
5 IBS 0.404255 0.815789
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WM1; Ligand: 13P; Similar sites found with APoc: 25
This union binding pocket(no: 1) in the query (biounit: 2wm1.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3URB DPF 1.52905
2 3MTW M3R 1.78571
3 3KFL ME8 2.38095
4 4AVB ACO 2.4024
5 1K3T BRZ 2.67857
6 4WOE 3S5 2.97619
7 3FV1 DYH 3.51562
8 4L1F FAD 4.46429
9 3O7U O7U 4.46429
10 2CHG ANP 4.86726
11 2AIB ERG 5.10204
12 1LRI CLR 5.10204
13 5HZ9 5M8 5.18518
14 2NXW TPP 5.65476
15 2HKA C3S 6.92308
16 3EFV NAD 7.44048
17 5KTN 13P 7.89474
18 1JA9 NDP 9.48905
19 1FWE HAE 12.2642
20 4YWV SSN 17.2619
21 4LAM 5CU 32.1429
22 5Z84 TGL 34.2466
23 5ZCO TGL 34.2466
24 2DVX 23A 34.2508
25 6DXS HJ7 41.6667
Pocket No.: 2; Query (leader) PDB : 2WM1; Ligand: 13P; 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: 2wm1.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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