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Receptor
PDB id Resolution Class Description Source Keywords
2P8B 1.7 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF N-SUCCINYL ARG/LYS RACEMASE FROM BACILLUS CEREUS ATCC 14579 COMPLEXED WITH N-SUCCINYL LYS. BACILLUS CEREUS ATCC 14579 ENOLASE SUPERFAMILY PREDICTION OF FUNCTION N-SUCCINYL AMINO ACID RACEMASE LYASE
Ref.: PREDICTION AND ASSIGNMENT OF FUNCTION FOR A DIVERGENT N-SUCCINYL AMINO ACID RACEMASE. NAT.CHEM.BIOL. V. 3 486 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:401;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
NSK A:501;
Valid;
none;
submit data
246.26 C10 H18 N2 O5 C(CCN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2P8B 1.7 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF N-SUCCINYL ARG/LYS RACEMASE FROM BACILLUS CEREUS ATCC 14579 COMPLEXED WITH N-SUCCINYL LYS. BACILLUS CEREUS ATCC 14579 ENOLASE SUPERFAMILY PREDICTION OF FUNCTION N-SUCCINYL AMINO ACID RACEMASE LYASE
Ref.: PREDICTION AND ASSIGNMENT OF FUNCTION FOR A DIVERGENT N-SUCCINYL AMINO ACID RACEMASE. NAT.CHEM.BIOL. V. 3 486 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 2P8B - NSK C10 H18 N2 O5 C(CCN)C[C@....
2 2P8C - SUG C10 H18 N4 O5 C(C[C@@H](....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 2P8B - NSK C10 H18 N2 O5 C(CCN)C[C@....
2 2P8C - SUG C10 H18 N4 O5 C(C[C@@H](....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3DG6 - MUC C6 H6 O4 C1=CC(=O)O....
2 3DG7 - MUC C6 H6 O4 C1=CC(=O)O....
3 2P8B - NSK C10 H18 N2 O5 C(CCN)C[C@....
4 2P8C - SUG C10 H18 N4 O5 C(C[C@@H](....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NSK; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 NSK 1 1
2 SUO 0.804878 0.970588
3 SUG 0.588235 0.804878
4 SN0 0.577778 0.756757
5 SMG 0.530612 0.707317
6 AOR 0.416667 0.833333
7 16E 0.407407 0.828571
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2P8B; Ligand: NSK; 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: 2p8b.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2P8B; Ligand: NSK; 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: 2p8b.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2P8B; Ligand: NSK; 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: 2p8b.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2P8B; Ligand: NSK; 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: 2p8b.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2P8B; Ligand: NSK; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2p8b.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2P8B; Ligand: NSK; Similar sites found with APoc: 67
This union binding pocket(no: 6) in the query (biounit: 2p8b.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 4FFG LBS 1.62602
2 4KCT PYR 2.16802
3 2P7Q GG6 2.25564
4 3VYK MMA MAN NAG MAN NAG NAG 2.32558
5 5DVI BGC 2.43902
6 4U60 SIA 2.5
7 4U60 SIA GAL NGA 2.5
8 1KKR 2AS 2.71003
9 4IP7 FLC 2.71003
10 4I9B 1KA 2.71003
11 3EW2 BTN 2.96296
12 4OYA 1VE 2.98103
13 5T9C G3P 2.98507
14 3TKY N7I 2.98913
15 2C6Q NDP 3.1339
16 3O2K QRP 3.25203
17 3RWP ABQ 3.85852
18 5LUN OGA 3.97727
19 3QTP 2PG 4.06504
20 1V0L XIF XYP 4.15335
21 1I82 BGC BGC 4.2328
22 2E40 LGC 4.33604
23 3NNT DQA 4.34783
24 1KW6 BPY 4.45205
25 1M5W DXP 4.52675
26 4D1J DGJ 4.60705
27 2W5F XYP XYP XYP 4.87805
28 1J84 BGC BGC BGC BGC 5
29 4JH6 FCN 5.07246
30 2VEG PMM 5.09554
31 4M26 AKG 5.76923
32 2WZE XYP XYP XYP 6.23306
33 5BOE PEP 6.23306
34 1US2 XYP XYP XYP XYP 7.31707
35 5O0J GLC 7.31707
36 2VQ5 HBA 7.46269
37 4UZI IMD 7.85908
38 2PTZ PAH 8.67209
39 2IXC TRH 8.91089
40 4WOE 3S5 8.94309
41 5A7V MAN 9.4851
42 4A3R CIT 9.4851
43 4Z1D PEP 9.78261
44 2AL2 2PG 10.2981
45 1EBG PAH 10.2981
46 2AL2 PEP 10.2981
47 5D3X 4IP 10.7784
48 1SWG BTN 10.9375
49 3RF4 FUN 11.2069
50 1ZZ7 S0H 12.1212
51 3H22 B53 15.8249
52 2QQC AG2 16.9643
53 4ZCW 4NG 18.1572
54 3T7V MD0 18.2857
55 2HXT EHM 19.2412
56 1EC9 XYH 25.2033
57 2PP3 LGT 29.5393
58 1R6W 164 31.677
59 2DW7 SRT 32.7913
60 3CXO 3LR 36.5854
61 3CXO 1N5 36.5854
62 3UXL CFI 37.1274
63 2GGH NLQ 42.0054
64 3R1Z ALA DGL 44.7154
65 3R1Z ALA GLU 44.7154
66 1SJD NPG 44.837
67 3DGB MUC 49.5935
Pocket No.: 7; Query (leader) PDB : 2P8B; Ligand: NSK; 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: 2p8b.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2P8B; Ligand: NSK; 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: 2p8b.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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