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Receptor
PDB id Resolution Class Description Source Keywords
4GPS 2.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF K. LACTIS DXO1 (YDR370C) KLUYVEROMYCES LACTIS KLUYVEROMYCES LACTIS DECAPPING 5-prime -3-prime EXORIBONUCLEASE HYDR
Ref.: DXO1 IS A NEW TYPE OF EUKARYOTIC ENZYME WITH BOTH D AND 5'-3' EXORIBONUCLEASE ACTIVITY. NAT.STRUCT.MOL.BIOL. V. 19 1011 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:501;
Valid;
none;
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192.124 C6 H8 O7 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4GPS 2.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF K. LACTIS DXO1 (YDR370C) KLUYVEROMYCES LACTIS KLUYVEROMYCES LACTIS DECAPPING 5-prime -3-prime EXORIBONUCLEASE HYDR
Ref.: DXO1 IS A NEW TYPE OF EUKARYOTIC ENZYME WITH BOTH D AND 5'-3' EXORIBONUCLEASE ACTIVITY. NAT.STRUCT.MOL.BIOL. V. 19 1011 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4GPS - CIT C6 H8 O7 C(C(=O)O)C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4GPS - CIT C6 H8 O7 C(C(=O)O)C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4GPS - CIT C6 H8 O7 C(C(=O)O)C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CIT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 7QD 0.653846 0.958333
3 HCA 0.576923 0.884615
4 MAH 0.44 0.807692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4GPS; Ligand: CIT; Similar sites found with APoc: 93
This union binding pocket(no: 1) in the query (biounit: 4gps.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 6BQC LOP 1.30548
2 5I60 67W 1.35501
3 3IHB GLU 1.41844
4 1FEC FAD 1.65485
5 1UWK NAD 1.65485
6 1UWK URO 1.65485
7 5JAQ NAI 1.72414
8 1CER NAD 1.81269
9 1ZBQ NAD 1.83486
10 3A06 FOM 1.8617
11 2WPF FAD 1.89125
12 2WPF WPF 1.89125
13 5WGR FAD 1.89125
14 4WAS COO 1.92308
15 3OID NDP 2.12766
16 3PTG 932 2.20386
17 1OC2 NAD 2.29885
18 1OC2 TDX 2.29885
19 4IJR NDP 2.32558
20 1ZM1 BGC BGC BGC 2.48963
21 1TDF FAD 2.53165
22 1Z45 UPG 2.60047
23 3NW7 LGV 2.60586
24 6GNC FAD 2.72109
25 3HB5 E2B 2.75229
26 2Q7V FAD 2.76923
27 1K3T BRZ 2.78552
28 1KYQ NAD 2.91971
29 1A27 EST 3.11419
30 3DUW SAH 3.13901
31 3HVJ 705 3.16742
32 1NV8 SAM 3.16901
33 4OOE FOM 3.21782
34 4UUG PXG 3.31325
35 5H5F SAM 3.4188
36 2NV2 GLN 3.43137
37 5UR0 NAD 3.72493
38 4UCI SAM 3.85542
39 3G6K FAD 3.8961
40 3G6K POP 3.8961
41 1PL6 572 3.93258
42 3FG2 FAD 3.9604
43 3AB1 FAD 4.16667
44 2BFR ADP 4.16667
45 2FY3 CHT 4.25532
46 4TXI FAD 4.25532
47 3DAA PDD 4.33213
48 5KZD RCJ 4.77816
49 3I59 N6S 4.81928
50 1X87 NAD 4.90018
51 2ZXI FAD 4.96454
52 3V1Y NAD 5.04451
53 4IQY AR6 5.41667
54 5AYE BMA BMA 5.67164
55 1HDG NAD 5.72289
56 4PIV NDP 5.91017
57 2A8X FAD 6.14657
58 2QJY SMA 6.14657
59 5TWJ SAM 6.17284
60 6CUZ FEV 6.18557
61 3CTY FAD 6.26959
62 4R81 FMN 6.31068
63 6AM8 PLT 6.31313
64 3GFS FMN 6.32184
65 6GAS FAD 6.34441
66 1F9A ATP 6.54762
67 1GU3 BGC BGC BGC BGC BGC 6.71141
68 1KEW TYD 6.92521
69 3GGO NAI 7.00637
70 4YMH SAH 7.08333
71 3QV1 NAD 7.31707
72 3G3R ANP 7.56501
73 4RDI ATP 7.63889
74 4RDH AMP 7.63889
75 5CB3 APR 7.65027
76 4ZFL 4NK 7.69231
77 1E6E FAD 7.8125
78 1IG3 VIB 7.98479
79 4FC7 COA 8.30325
80 4FC7 NAP 8.30325
81 3SSO SAH 8.35322
82 2PK3 GDD 8.41121
83 3SQG TP7 8.60215
84 2Q1W NAD 8.70871
85 5N7O 69Y 9.92908
86 1NVM NAD 10.2564
87 6EMU SAM 10.6599
88 4XB2 NDP 11.6418
89 1RM6 PCD 11.8012
90 1PJS NAD 12.2931
91 5KF9 COA 12.5
92 5KF9 NAG 12.5
93 1EQ2 ADQ 20
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