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Receptor
PDB id Resolution Class Description Source Keywords
1Q23 2.18 Å EC: 2.3.1.28 CRYSTAL STRUCTURE OF CHLORAMPHENICOL ACETYLTRANSFERASE I COMPLEXED WITH FUSIDIC ACID AT 2.18 A RESOLUTION ESCHERICHIA COLI CAT I TRIMER FUSIDIC ACID TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF CHLORAMPHENICOL ACETYLTRANSFERASE I IN THE APOENZYME FORM AND COMPLEXED WITH FUSIDIC ACID AT 2.18 A RESOLUTION TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:801;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
FUA A:702;
B:703;
C:701;
D:705;
E:706;
F:704;
G:708;
H:709;
I:707;
J:711;
K:712;
L:710;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
516.709 C31 H48 O6 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Q23 2.18 Å EC: 2.3.1.28 CRYSTAL STRUCTURE OF CHLORAMPHENICOL ACETYLTRANSFERASE I COMPLEXED WITH FUSIDIC ACID AT 2.18 A RESOLUTION ESCHERICHIA COLI CAT I TRIMER FUSIDIC ACID TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF CHLORAMPHENICOL ACETYLTRANSFERASE I IN THE APOENZYME FORM AND COMPLEXED WITH FUSIDIC ACID AT 2.18 A RESOLUTION TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1Q23 - FUA C31 H48 O6 C[C@H]1[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1Q23 - FUA C31 H48 O6 C[C@H]1[C@....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1QCA Ki = 5.4 uM FUA C31 H48 O6 C[C@H]1[C@....
2 4CLA - CLM C11 H12 Cl2 N2 O5 c1cc(ccc1[....
3 3CLA Kd = 13 uM CLM C11 H12 Cl2 N2 O5 c1cc(ccc1[....
4 1CLA - CLM C11 H12 Cl2 N2 O5 c1cc(ccc1[....
5 1Q23 - FUA C31 H48 O6 C[C@H]1[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FUA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FUA 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found with APoc: 32
This union binding pocket(no: 1) in the query (biounit: 1q23.bio3) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1X8D RNS None
2 4H6B 10Y 2.05128
3 4H6B 10X 2.05128
4 4P86 5GP 2.18579
5 5JSP DQY 2.48756
6 6AP8 BNY 3.19635
7 4XMF HSM 3.26087
8 2ZBA ZBA 3.65297
9 3T7V MD0 4.10959
10 4Y3O OGA 4.10959
11 1QIN GIP 4.37158
12 3PUA OGA 4.56621
13 5KOD IAC 5.02283
14 3E2M E2M 5.40541
15 1DZT ATY 5.46448
16 3FW4 CAQ 6.17978
17 1AFS TES 6.39269
18 4DYG MES 6.39269
19 1LSH PLD 6.84932
20 4DZ1 DAL 6.84932
21 1GT4 UNA 6.91824
22 4K90 MLA 7.90698
23 1RM0 D6P 8.21918
24 5LWY OLB 8.6758
25 1KTG AMP 8.69565
26 4YUS FMN 10.0457
27 5EK3 5PK 10.0457
28 3KFF ZBT 11.7284
29 3KFF XBT 11.7284
30 4XXH T6P 14.1553
31 3RI1 3RH 15.0685
32 2C91 TLA 15.9817
Pocket No.: 2; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found with APoc: 22
This union binding pocket(no: 2) in the query (biounit: 1q23.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 6F9G PUT 1.82648
2 4MLO PAM 2.28311
3 1P72 THM 2.73973
4 4DOO DAO 3.41463
5 5W0N UPU 3.65297
6 1I06 TZL 3.88889
7 2XMY CDK 4.10959
8 4EE7 PIS 4.56621
9 2P7Q GG6 5.26316
10 2DIO EOD 5.31915
11 2RKV ZBA 5.47945
12 2RKV COA 5.47945
13 6D61 4AA 5.64103
14 5TFZ 7BC 7.33333
15 5KEW 6SB 7.63889
16 6E8I PTR 7.69231
17 1I7M PUT 8.95522
18 5TVM PUT 11.7647
19 1VBJ CIT 12.3288
20 5GP0 GPP 14.7651
21 6CZI 38E 22.3214
22 5EZU MYR 29.2135
Pocket No.: 3; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found with APoc: 15
This union binding pocket(no: 3) in the query (biounit: 1q23.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5B09 4MX 2.88462
2 6BU0 IHP 3.05344
3 4L80 1VU 3.19635
4 4L80 OXL 3.19635
5 2YKL NLD 3.7037
6 4D52 GXL 4.10959
7 5L2R MLA 4.56621
8 5EW9 5VC 5.02283
9 5HUA FK5 5.21739
10 3SI2 PBD 5.47945
11 3LXI CAM 8.21918
12 4J36 FAD 9.13242
13 4J36 1HR 9.13242
14 5A5W GUO 9.48617
15 2BP1 FLC 15.9817
Pocket No.: 4; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found with APoc: 12
This union binding pocket(no: 4) in the query (biounit: 1q23.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 5FLJ QUE 4.83871
2 3ZGJ RMN 5.02283
3 5ML3 DL3 7.38255
4 4LAX FK5 7.76256
5 1Q6I FK5 8.21918
6 2E56 MYR 8.33333
7 1ODM ASV 8.6758
8 6GN6 MAL 9.13242
9 3VQ2 LP4 LP5 MYR DAO 11.8056
10 1DZK PRZ 12.1019
11 1T27 PCW 13.6986
12 2A1L PCW 26.0274
Pocket No.: 5; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found with APoc: 9
This union binding pocket(no: 5) in the query (biounit: 1q23.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 2O66 FLC None
2 4FK7 P34 2.28311
3 5I0U DCY 2.5
4 5TZO 7V7 2.65957
5 2GZ3 NAP 5.47945
6 3OZ2 OZ2 5.93607
7 1KDK DHT 6.21469
8 2AGC MYR 9.25926
9 2CHT TSA 18.1102
Pocket No.: 6; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found with APoc: 9
This union binding pocket(no: 6) in the query (biounit: 1q23.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5V3D FCN 1.37931
2 3WXL ADP 2.28311
3 6GNO XDI 4.44444
4 4ORM ORO 5.02283
5 4ORM FMN 5.02283
6 4ORM 2V6 5.02283
7 5Y72 DST 5.93607
8 2VOT NHV 11.4155
9 2ITM XUL 11.8721
Pocket No.: 7; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found with APoc: 3
This union binding pocket(no: 7) in the query (biounit: 1q23.bio4) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZB6 GST 4.10959
2 5AE2 FAD 6.84932
3 5AE2 FYC 6.84932
Pocket No.: 8; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found with APoc: 7
This union binding pocket(no: 8) in the query (biounit: 1q23.bio4) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5HWC FK5 3.47826
2 4UWJ MYA 4.56621
3 4UWJ 7L5 4.56621
4 3STK PLM 6.06061
5 3CF6 SP1 8.38323
6 4OMJ 2TX 17.8082
7 1OLM VTQ 17.8082
Pocket No.: 9; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found with APoc: 3
This union binding pocket(no: 9) in the query (biounit: 1q23.bio4) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1Y9Q MED 1.04167
2 3N29 NSD 2.28311
3 2P3B 3TL 10.101
Pocket No.: 10; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found with APoc: 6
This union binding pocket(no: 10) in the query (biounit: 1q23.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 3MBI HSX 3.19635
2 5GVL GI8 3.65297
3 5GVL PLG 3.65297
4 2YNE YNE 4.56621
5 2YNE NHW 4.56621
6 5UR6 8KM 6.62983
Pocket No.: 11; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found with APoc: 6
This union binding pocket(no: 11) in the query (biounit: 1q23.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1GXS BEZ 2.53165
2 1NC2 DOE 2.7907
3 3B00 16A 4.56621
4 5H06 MAL 6.84932
5 4KRG OPE 7.76256
6 1U18 HSM 8.64865
Pocket No.: 12; Query (leader) PDB : 1Q23; Ligand: FUA; Similar sites found with APoc: 4
This union binding pocket(no: 12) in the query (biounit: 1q23.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5G6U YJM 1.82648
2 5NLM IOS 3.65297
3 4N70 2HX 4.10959
4 6GN6 GLC 9.13242
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