Receptor
PDB id Resolution Class Description Source Keywords
3NFZ 2.15 Å EC: 3.5.1.- CRYSTAL STRUCTURE OF MURINE AMINOACYLASE 3 IN COMPLEX WITH N TYROSINE MUS MUSCULUS N-ACETYL-L-TRYOSINE HYDROLASE
Ref.: STRUCTURES OF AMINOACYLASE 3 IN COMPLEX WITH ACETYL SUBSTRATES. PROC.NATL.ACAD.SCI.USA V. 107 17962 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3NF A:322;
Valid;
none;
submit data
223.225 C11 H13 N O4 CC(=O...
CL A:320;
A:321;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
ZN A:319;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3NFZ 2.15 Å EC: 3.5.1.- CRYSTAL STRUCTURE OF MURINE AMINOACYLASE 3 IN COMPLEX WITH N TYROSINE MUS MUSCULUS N-ACETYL-L-TRYOSINE HYDROLASE
Ref.: STRUCTURES OF AMINOACYLASE 3 IN COMPLEX WITH ACETYL SUBSTRATES. PROC.NATL.ACAD.SCI.USA V. 107 17962 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 3NFZ - 3NF C11 H13 N O4 CC(=O)N[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 3NFZ - 3NF C11 H13 N O4 CC(=O)N[C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 3NFZ - 3NF C11 H13 N O4 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 3NF; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 3NF 1 1
2 JGM 0.625 0.688889
3 34H 0.488889 0.6
4 D0W 0.486486 0.647059
5 TYR 0.478261 0.764706
6 DTY 0.478261 0.764706
7 GLY TYR 0.471698 0.714286
8 TI2 0.461538 0.775
9 VAL TYR 0.45614 0.794872
10 BD5 0.428571 0.72093
11 TYC 0.425532 0.75
12 ING 0.411765 0.609756
13 SAC 0.404762 0.657895
Similar Ligands (3D)
Ligand no: 1; Ligand: 3NF; Similar ligands found: 99
No: Ligand Similarity coefficient
1 2B4 0.9521
2 23N 0.9435
3 LHY 0.9408
4 GLY PHE 0.9404
5 CXA 0.9355
6 CPM 0.9314
7 BZS 0.9309
8 IC9 0.9260
9 ACE PHE 0.9170
10 ALA PHE 0.9166
11 AVO 0.9131
12 TH4 0.9079
13 7R4 0.9026
14 SQY 0.9019
15 7ZL 0.9002
16 HO6 0.9000
17 2PV 0.8991
18 2PK 0.8989
19 1A5 0.8989
20 7UZ 0.8961
21 IPO 0.8955
22 PHI 0.8917
23 1ZC 0.8917
24 1BY 0.8913
25 MUK 0.8913
26 AAG 0.8910
27 C53 0.8907
28 N1Y 0.8901
29 C0H 0.8900
30 H75 0.8899
31 848 0.8897
32 LZ5 0.8896
33 0OO 0.8894
34 458 0.8893
35 EXG 0.8892
36 ENO 0.8876
37 EBP 0.8872
38 7QD 0.8871
39 JGB 0.8856
40 2J5 0.8856
41 3IP 0.8855
42 5VU 0.8852
43 VJJ 0.8848
44 2UB 0.8832
45 9B3 0.8799
46 TZM 0.8797
47 EN1 0.8796
48 DAH 0.8790
49 FHC 0.8781
50 KLS 0.8776
51 HLP 0.8776
52 FMQ 0.8771
53 WCU 0.8764
54 A7K 0.8763
55 4FP 0.8761
56 27K 0.8756
57 4BF 0.8754
58 PFF 0.8753
59 613 0.8749
60 TIA 0.8748
61 4FC 0.8736
62 SOJ 0.8728
63 0A9 0.8724
64 R9J 0.8717
65 CU0 0.8704
66 1CY 0.8703
67 5S9 0.8703
68 PF1 0.8686
69 9VZ 0.8684
70 88R 0.8682
71 6FR 0.8681
72 ISA 0.8672
73 MMS 0.8669
74 ZMG 0.8669
75 EQW 0.8667
76 GLY NIY 0.8654
77 3TC 0.8644
78 MOK 0.8632
79 UM3 0.8619
80 AX4 0.8617
81 WLH 0.8608
82 F16 0.8607
83 M01 0.8606
84 BDJ 0.8603
85 54E 0.8598
86 2JX 0.8594
87 FPL 0.8585
88 50C 0.8580
89 5AD 0.8551
90 AWE 0.8550
91 0OY 0.8549
92 D1G 0.8541
93 RVD 0.8533
94 EF2 0.8526
95 NK5 0.8523
96 LR2 0.8522
97 50Q 0.8521
98 IM4 0.8517
99 MJ5 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3NFZ; Ligand: 3NF; 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: 3nfz.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3NFZ; Ligand: 3NF; 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: 3nfz.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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