Receptor
PDB id Resolution Class Description Source Keywords
1UF5 1.6 Å EC: 3.5.1.77 CRYSTAL STRUCTURE OF C171A/V236A MUTANT OF N-CARBAMYL-D- AMINO ACID AMIDOHYDROLASE COMPLEXED WITH N-CARBAMYL-D- M ETHIONINE AGROBACTERIUM SP. HYDROLASE
Ref.: CRYSTAL STRUCTURE OF C171A/V236A MUTANT OF N-CARBAMYL-D-AMINO ACID AMIDOHYDROLASE TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CDT A:998;
B:999;
Valid;
Valid;
none;
none;
submit data
192.236 C6 H12 N2 O3 S CSCC[...
EDO A:1000;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UF5 1.6 Å EC: 3.5.1.77 CRYSTAL STRUCTURE OF C171A/V236A MUTANT OF N-CARBAMYL-D- AMINO ACID AMIDOHYDROLASE COMPLEXED WITH N-CARBAMYL-D- M ETHIONINE AGROBACTERIUM SP. HYDROLASE
Ref.: CRYSTAL STRUCTURE OF C171A/V236A MUTANT OF N-CARBAMYL-D-AMINO ACID AMIDOHYDROLASE TO BE PUBLISHED
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1UF5 - CDT C6 H12 N2 O3 S CSCC[C@H](....
2 1UF7 - CDV C6 H12 N2 O3 CC(C)[C@H]....
3 1UF8 - ING C10 H12 N2 O3 c1ccc(cc1)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1UF5 - CDT C6 H12 N2 O3 S CSCC[C@H](....
2 1UF7 - CDV C6 H12 N2 O3 CC(C)[C@H]....
3 1UF8 - ING C10 H12 N2 O3 c1ccc(cc1)....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1UF5 - CDT C6 H12 N2 O3 S CSCC[C@H](....
2 1UF7 - CDV C6 H12 N2 O3 CC(C)[C@H]....
3 1UF8 - ING C10 H12 N2 O3 c1ccc(cc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CDT; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 CDT 1 1
2 AME 0.666667 0.775
3 FME 0.621622 0.837838
4 SMG 0.55814 0.738095
5 QRG 0.5 0.695652
6 EPM 0.470588 0.673913
7 MET 0.447368 0.756757
8 MED 0.447368 0.756757
9 M8F 0.438596 0.717391
10 GLY MET 0.422222 0.704545
11 NCD 0.421053 0.690476
Similar Ligands (3D)
Ligand no: 1; Ligand: CDT; Similar ligands found: 51
No: Ligand Similarity coefficient
1 EKN 0.9698
2 NFQ 0.9322
3 ALA LEU 0.9270
4 HCA 0.9233
5 GLY LEU 0.9229
6 AOR 0.9117
7 CIT 0.9095
8 FLC 0.9091
9 P4B 0.9087
10 NLG 0.9081
11 VPR 0.9057
12 G01 0.9014
13 XQB 0.9014
14 TRA 0.9012
15 HCT 0.8992
16 NIG 0.8981
17 TRC 0.8978
18 NQM 0.8978
19 AN0 0.8956
20 ICT 0.8939
21 AQK 0.8935
22 0FA 0.8923
23 PCV 0.8904
24 M75 0.8885
25 DMO 0.8879
26 ALA DGL 0.8863
27 CDV 0.8822
28 NLQ 0.8811
29 ALA ZGL 0.8787
30 HJ7 0.8781
31 P23 0.8781
32 CCB 0.8773
33 BRR 0.8771
34 2PG 0.8755
35 XSP 0.8741
36 8SZ 0.8728
37 0CG 0.8715
38 SIF 0.8708
39 7UC 0.8696
40 MLE 0.8695
41 2ED 0.8692
42 AVO 0.8684
43 IPM 0.8657
44 4WK 0.8618
45 2EH 0.8617
46 7A3 0.8603
47 MEV 0.8601
48 7QD 0.8571
49 SC2 0.8529
50 DII 0.8517
51 8WQ 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UF5; Ligand: CDT; 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: 1uf5.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1UF5; Ligand: CDT; 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: 1uf5.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1UF5; Ligand: CDT; 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: 1uf5.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1UF5; Ligand: CDT; 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: 1uf5.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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