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Receptor
PDB id Resolution Class Description Source Keywords
3WWX 1.49 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF D-STEREOSPECIFIC AMIDOHYDROLASE FROM ST SP. 82F2 STREPTOMYCES SP. 82F2 AMIDOHYDROLASE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF D-STEREOSPECIFIC AMIDOHYDROLAS STREPTOMYCES SP. 82F2: INSIGHT INTO THE STRUCTURAL FOR SUBSTRATE SPECIFICITY FEBS J. 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DIA A:401;
Valid;
none;
submit data
144.258 C8 H20 N2 C(CCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WWX 1.49 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF D-STEREOSPECIFIC AMIDOHYDROLASE FROM ST SP. 82F2 STREPTOMYCES SP. 82F2 AMIDOHYDROLASE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF D-STEREOSPECIFIC AMIDOHYDROLAS STREPTOMYCES SP. 82F2: INSIGHT INTO THE STRUCTURAL FOR SUBSTRATE SPECIFICITY FEBS J. 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 3WWX - DIA C8 H20 N2 C(CCCCN)CC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 3WWX - DIA C8 H20 N2 C(CCCCN)CC....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1IKI - REY C12 H21 N3 O6 C[C@H](C(=....
2 1HVB - CEH C32 H42 N6 O13 S C[C@H](C(=....
3 1PW1 - HEL C17 H25 N4 O7 S CC1([C@@H]....
4 1YQS - BSA C9 H11 N O4 S c1ccc(cc1)....
5 1IKG - REX C15 H26 N4 O7 C[C@H](C(=....
6 3WWX - DIA C8 H20 N2 C(CCCCN)CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DIA; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 DIA 1 1
2 16D 0.909091 1
3 N2P 0.75 0.95
4 PUT 0.583333 0.9
5 13D 0.5 0.727273
6 8AC 0.458333 0.666667
7 011 0.416667 0.666667
8 AML 0.411765 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3WWX; Ligand: DIA; Similar sites found with APoc: 70
This union binding pocket(no: 1) in the query (biounit: 3wwx.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 4TMZ GSP 1.15942
2 5N5U 7N8 1.59236
3 1IG3 VIB 1.90114
4 5H68 AGS 2.05882
5 4XB2 HSE 2.08955
6 4XB2 NDP 2.08955
7 5F52 ASP 2.13415
8 3EB9 FLC 2.25564
9 5X9D 80F 2.30263
10 3GC8 B45 2.5788
11 4YWV SSN 2.5788
12 2DKH 3HB 2.5788
13 2DKH FAD 2.5788
14 5XVG 8FX 2.73038
15 3VKC FPQ 2.7972
16 1RSG FAD 2.86533
17 2VL1 GLY GLY 2.86533
18 5WXU IAC 2.86533
19 3MVH WFE 2.92398
20 4YUW S4M 2.96053
21 4YUW 4JU 2.96053
22 5TUF TDC 3.15186
23 5F7R GLC GLC 3.15186
24 2XVF FAD 3.15186
25 4B9E FAH 3.32226
26 2I7N ACO 3.72493
27 6E1Q CFA 3.72493
28 3KJS NAP 3.72493
29 1GA8 UPF 3.85852
30 1GA8 DEL 3.85852
31 4USI ATP 3.8961
32 5U3F 7TS 4.01146
33 2Y88 2ER 4.09836
34 3NCQ ATP 4.20168
35 5AHS FAD 4.29799
36 3KYG 5GP 5GP 4.40529
37 4K49 HFQ 4.41176
38 5AO7 AH0 NAG 4.58453
39 2POC UD1 4.58453
40 1EWJ BLM 4.7619
41 5GSN FAD 4.87106
42 1YKJ FAD 4.87106
43 1XHC FAD 4.87106
44 1WN3 HXC 5.14706
45 4WCX SAM 5.15759
46 2RCU BUJ 5.44413
47 5Y4R C2E 5.51724
48 2DXU BT5 5.53191
49 1WPY BTN 5.53191
50 5ZBC FAD 5.54324
51 5DEQ ARA 5.73066
52 5NMX FAD 5.73066
53 5TQZ GLC 6
54 3COB ADP 6.01719
55 3EFS BTN 6.43777
56 4TL6 ANP 6.59026
57 1X54 4AD 6.59026
58 5JIC ADP 6.59341
59 5JIC N7E 6.59341
60 1N2X SAM 6.97674
61 3B82 NAD 7.16332
62 5U61 7WG 7.26644
63 5OCG 9R5 7.93651
64 1QL9 ZEN 8.96861
65 1UYY BGC BGC 9.92366
66 1VBO MAN 10.0671
67 1VBO MAN MAN MAN 10.0671
68 4HEQ FMN 10.9589
69 3AB4 LYS 11.236
70 5O3Q CMP 13.3333
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