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Receptor
PDB id Resolution Class Description Source Keywords
2GGH 2.2 Å EC: 5.1.1.10 THE MUTANT A68C-D72C-NLQ OF DEINOCOCCUS RADIODURANS NACYLAMINO ACID RACEMASE DEINOCOCCUS RADIODURANS N-ACYLAMINO ACID RACEMASE DEINOCOCCUS RADIODURANS ISOMERASE
Ref.: STRUCTURE-STABILITY-ACTIVITY RELATIONSHIP IN COVALENTLY CROSS-LINKED N-CARBAMOYL D-AMINO ACID AMIDOHYDROLASE AND N-ACYLAMINO ACID RACEMASE. J.MOL.BIOL. V. 359 741 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:1377;
B:2377;
C:3377;
D:4377;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
NLQ C:1376;
D:2376;
Valid;
Valid;
none;
none;
submit data
188.181 C7 H12 N2 O4 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GGH 2.2 Å EC: 5.1.1.10 THE MUTANT A68C-D72C-NLQ OF DEINOCOCCUS RADIODURANS NACYLAMINO ACID RACEMASE DEINOCOCCUS RADIODURANS N-ACYLAMINO ACID RACEMASE DEINOCOCCUS RADIODURANS ISOMERASE
Ref.: STRUCTURE-STABILITY-ACTIVITY RELATIONSHIP IN COVALENTLY CROSS-LINKED N-CARBAMOYL D-AMINO ACID AMIDOHYDROLASE AND N-ACYLAMINO ACID RACEMASE. J.MOL.BIOL. V. 359 741 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2GGH - NLQ C7 H12 N2 O4 CC(=O)N[C@....
2 1XPY - NLQ C7 H12 N2 O4 CC(=O)N[C@....
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 2GGH - NLQ C7 H12 N2 O4 CC(=O)N[C@....
2 1XPY - NLQ C7 H12 N2 O4 CC(=O)N[C@....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1SJD - NPG C12 H13 N O5 c1ccc(cc1)....
2 1SJB - OSB C11 H10 O5 c1ccc(c(c1....
3 1SJC - SMG C9 H15 N O5 S CSCC[C@H](....
4 1SJA - AME C7 H13 N O3 S CC(=O)N[C@....
5 2GGH - NLQ C7 H12 N2 O4 CC(=O)N[C@....
6 1XPY - NLQ C7 H12 N2 O4 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NLQ; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 NLQ 1 1
2 NLG 0.69697 0.903226
3 AN0 0.571429 0.764706
4 AOR 0.552632 0.8
5 X2W 0.522727 0.636364
6 AME 0.512821 0.710526
7 SAC 0.5 0.694444
8 OLN 0.488372 0.769231
9 SC2 0.485714 0.685714
10 AAG 0.466667 0.707317
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GGH; Ligand: NLQ; Similar sites found with APoc: 40
This union binding pocket(no: 1) in the query (biounit: 2ggh.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5NJI 8Z2 1.5528
2 1KKR 2AS 2.13333
3 4IV9 TSR 2.66667
4 2XVL PXN 3.46667
5 3FAX BGC GLC GLC 4
6 1ZZ7 S0H 4.0404
7 5ABX MGP 4.21053
8 1RBL CAP 4.58716
9 5GQX GLC GLC GLC GLC 4.8
10 4UEC MGT 4.8913
11 3CXO 3LR 5.06667
12 5VN0 NAI 5.33333
13 2CI5 HCS 7.04225
14 2V6A CAP 7.85714
15 1IR2 CAP 7.85714
16 1Q6O LG6 7.87037
17 1UZD CAP 8.20895
18 2V7Q ADP 8.21918
19 3L24 GOA 8.26667
20 5MRH Q9Z 8.53333
21 4M1U A2G MBG 8.57143
22 2BOS GLA GAL GLC 8.82353
23 2BOS GLA GAL 8.82353
24 2WGH DTP 9.33333
25 4BVM VCA 12.0301
26 5NLD LBT 14.3885
27 1R6W 164 15.2174
28 2HXT EHM 23.4667
29 3UXL CFI 25.6
30 2DW7 SRT 30.4
31 2PP3 LGT 32.8
32 1EC9 XYH 35.4667
33 3R1Z ALA GLU 38.2586
34 3R1Z ALA DGL 38.2586
35 3HPF GAE 39.4667
36 3DER ALA LYS 40
37 2P8B NSK 42.0054
38 3DGB MUC 45.3333
39 3DG6 MUC 45.5041
40 1TKK ALA GLU 48.3607
Pocket No.: 2; Query (leader) PDB : 2GGH; Ligand: NLQ; 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: 2ggh.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2GGH; Ligand: NLQ; 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: 2ggh.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2GGH; Ligand: NLQ; 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: 2ggh.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2GGH; Ligand: NLQ; Similar sites found with APoc: 15
This union binding pocket(no: 5) in the query (biounit: 2ggh.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 1YQS BSA 1.7192
2 5JCM FAD 1.86667
3 5JCM ISD 1.86667
4 5JCM NAD 1.86667
5 4KCT PYR 2.4
6 5ERM 210 3.0303
7 3CXO 1N5 5.06667
8 4URN NOV 5.77778
9 3GJB AKG 5.95611
10 1GXU 2HP 7.69231
11 6BR7 BEF 9.02256
12 2ORV 4TA 13.2479
13 2B8T THM 14.3498
14 1W4R TTP 16.4103
15 2Q7D ANP 25.4335
Pocket No.: 6; Query (leader) PDB : 2GGH; Ligand: NLQ; 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: 2ggh.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2GGH; Ligand: NLQ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2ggh.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2GGH; Ligand: NLQ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2ggh.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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