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Receptor
PDB id Resolution Class Description Source Keywords
1SSQ 1.85 Å EC: 2.3.1.30 SERINE ACETYLTRANSFERASE- COMPLEX WITH CYSTEINE HAEMOPHILUS INFLUENZAE LEFT-HANDED PARALLEL BETA HELIX TRANSFERASE
Ref.: STRUCTURE OF SERINE ACETYLTRANSFERASE IN COMPLEXES AND ITS CYSTEINE FEEDBACK INHIBITOR BIOCHEMISTRY V. 43 6013 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CYS A:2000;
A:2001;
Valid;
Valid;
none;
none;
Ki = 1 uM
121.158 C3 H7 N O2 S C([C@...
MG A:4001;
D:4000;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SSQ 1.85 Å EC: 2.3.1.30 SERINE ACETYLTRANSFERASE- COMPLEX WITH CYSTEINE HAEMOPHILUS INFLUENZAE LEFT-HANDED PARALLEL BETA HELIX TRANSFERASE
Ref.: STRUCTURE OF SERINE ACETYLTRANSFERASE IN COMPLEXES AND ITS CYSTEINE FEEDBACK INHIBITOR BIOCHEMISTRY V. 43 6013 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1SST - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 1SSQ Ki = 1 uM CYS C3 H7 N O2 S C([C@@H](C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1SST - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 1SSQ Ki = 1 uM CYS C3 H7 N O2 S C([C@@H](C....
3 1T3D - CYS C3 H7 N O2 S C([C@@H](C....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1SST - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 1SSQ Ki = 1 uM CYS C3 H7 N O2 S C([C@@H](C....
3 4N69 - SER C3 H7 N O3 C([C@@H](C....
4 1T3D - CYS C3 H7 N O2 S C([C@@H](C....
5 4HZD - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CYS; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 CYS 1 1
2 DCY 1 1
3 DSN 0.65 0.84
4 SER 0.65 0.84
5 HCS 0.608696 0.916667
6 2RA 0.571429 0.807692
7 ABA 0.571429 0.75
8 DBB 0.571429 0.75
9 C2N 0.545455 0.791667
10 ASP 0.521739 0.703704
11 DAS 0.521739 0.703704
12 ASN 0.521739 0.612903
13 CSS 0.52 0.807692
14 DAB 0.5 0.777778
15 HSE 0.5 0.75
16 LEU 0.48 0.692308
17 AS2 0.48 0.692308
18 API 0.48 0.62069
19 NVA 0.48 0.666667
20 CSO 0.48 0.677419
21 HL5 0.448276 0.740741
22 GLU 0.444444 0.642857
23 DGL 0.444444 0.642857
24 GGL 0.444444 0.642857
25 ORN 0.428571 0.740741
26 ALA 0.428571 0.608696
27 DAL 0.428571 0.608696
28 NLE 0.413793 0.62069
29 3GC 0.405405 0.647059
30 UN1 0.4 0.62069
31 MED 0.4 0.666667
32 DLY 0.4 0.714286
33 MET 0.4 0.666667
34 11C 0.4 0.62069
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SSQ; Ligand: CYS; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 1ssq.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4EDF UPG 4.49438
Pocket No.: 2; Query (leader) PDB : 1SSQ; Ligand: CYS; 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: 1ssq.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1SSQ; Ligand: CYS; 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: 1ssq.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1SSQ; Ligand: CYS; Similar sites found with APoc: 53
This union binding pocket(no: 4) in the query (biounit: 1ssq.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
1 4MOB ADP 1.49813
2 4BHL ARG 1.87266
3 2EB5 OXL 2.24719
4 1OFL NGK GCD 2.99625
5 1LSH PLD 2.99625
6 1Y7P RIP 3.13901
7 5M06 ADP 3.37079
8 5M6N 7H9 3.38983
9 3A16 PXO 3.74532
10 3CM2 X23 3.84615
11 6E1Q CFA 4.11985
12 3V1S 0LH 4.11985
13 5FUI APY 4.54545
14 1HV9 COA 4.86891
15 5KJW 53C 4.86891
16 1UNQ 4IP 5.6
17 2ZL4 ALA ALA ALA ALA 5.61225
18 3FSY SCA 5.72289
19 3TWD GOB 5.85586
20 5L2R MLA 6.36704
21 1FQK ALF 6.80272
22 3NZ1 3NY 6.89655
23 3I3X U22 6.94981
24 5LX9 OLB 7.11611
25 5E3Q SCA 7.11611
26 3IWD M2T 10.2941
27 1JAC AMG 10.5263
28 1KUJ MMA 10.5263
29 1TOQ AMG 10.5263
30 1KGQ SCO 10.9489
31 1KGQ NPI 10.9489
32 2WLG SOP 11.1628
33 1UGY GLA BGC 11.2782
34 1WS4 AMG 11.2782
35 1WS5 MMA 11.2782
36 1UGW GAL 11.2782
37 1WS4 GYP 11.2782
38 1UGY GLA GLC 11.2782
39 4AAW R84 11.6105
40 5OQW A4E 14.1732
41 6GE9 ACO 14.6067
42 5C83 4YN 16.3636
43 3MQG ACO 17.7083
44 4MZU COA 17.9775
45 1J2Z SOG 18.3521
46 2VSL MAA LYS PRO PHE 18.75
47 4K55 H6P 19.3548
48 5T2Y 753 19.697
49 3FS8 TDR 21.2454
50 3FS8 ACO 21.2454
51 1KRR ACO 28.5714
52 4EA7 JB2 30.4545
53 4EA7 COA 30.4545
Pocket No.: 5; Query (leader) PDB : 1SSQ; Ligand: CYS; 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: 1ssq.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1SSQ; Ligand: CYS; 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: 1ssq.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
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