Receptor
PDB id Resolution Class Description Source Keywords
6q55 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CRYPTOSPORIDIUM HOMINIS CPSF3 IN COMPLE COMPOUND 61 CRYPTOSPORIDIUM HOMINIS TU502 MRNA PROCESSING FACTOR METALLO-BETA-LACTAMASE BETA-CASP OINHIBITOR RNA BINDING PROTEIN
Ref.: METAL-CAPTURED INHIBITION OF PRE-MRNA PROCESSING AC CPSF3 CONTROLS CRYPTOSPORIDIUM INFECTION. SCI TRANSL MED V. 11 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IPA A:507;
A:506;
A:505;
A:504;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
60.095 C3 H8 O CC(C)...
GOL A:510;
A:512;
A:508;
A:511;
A:509;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
MG A:514;
A:513;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
ZN A:502;
A:501;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
HJB A:503;
 Valid;
 none;
 submit data
223.01 C10 H12 B O5 [B-]1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6Q55 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CRYPTOSPORIDIUM HOMINIS CPSF3 IN COMPLE COMPOUND 61 CRYPTOSPORIDIUM HOMINIS TU502 MRNA PROCESSING FACTOR METALLO-BETA-LACTAMASE BETA-CASP OINHIBITOR RNA BINDING PROTEIN
Ref.: METAL-CAPTURED INHIBITION OF PRE-MRNA PROCESSING AC CPSF3 CONTROLS CRYPTOSPORIDIUM INFECTION. SCI TRANSL MED V. 11 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6Q55 - HJB C10 H12 B O5 [B-]1(c2c(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6Q55 - HJB C10 H12 B O5 [B-]1(c2c(....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6Q55 - HJB C10 H12 B O5 [B-]1(c2c(....
2 6M8Q - JBG C23 H27 Cl2 N3 O5 CN1CCN(CC1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HJB; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 HJB 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: HJB; Similar ligands found: 88
No: Ligand Similarity coefficient
1 M3Q 0.9215
2 NLA 0.9196
3 IAC 0.9044
4 QMS 0.9043
5 8GK 0.9037
6 5WN 0.9008
7 TSR 0.8995
8 G6P 0.8983
9 5OF 0.8969
10 6DP 0.8947
11 AC2 0.8940
12 L21 0.8940
13 6HP 0.8919
14 FUZ 0.8919
15 TRP 0.8909
16 HBI 0.8908
17 3RI 0.8892
18 6J9 0.8887
19 JAA 0.8884
20 CE2 0.8881
21 Q5M 0.8873
22 DTR 0.8863
23 IBM 0.8858
24 ZEZ 0.8854
25 8XL 0.8852
26 4ME 0.8832
27 BB4 0.8832
28 3Y7 0.8832
29 B61 0.8832
30 ZON 0.8826
31 NQH 0.8819
32 92P 0.8814
33 1Z8 0.8808
34 SRO 0.8805
35 PLP 0.8795
36 TQU 0.8792
37 PMP 0.8790
38 4KL 0.8778
39 2K8 0.8767
40 LIP 0.8760
41 O2A 0.8750
42 FWB 0.8748
43 5V7 0.8745
44 MQB 0.8736
45 ITW 0.8728
46 IOS 0.8727
47 GLP 0.8721
48 ZEA 0.8712
49 IL5 0.8711
50 5NS 0.8711
51 MNP 0.8706
52 NVU 0.8700
53 LZ2 0.8696
54 SYE 0.8694
55 KYA 0.8690
56 6VD 0.8690
57 OSB 0.8684
58 BIO 0.8672
59 W8G 0.8671
60 7CT 0.8660
61 0FK 0.8659
62 9GP 0.8655
63 3EB 0.8651
64 M6P 0.8647
65 EV2 0.8646
66 JR2 0.8640
67 7ZC 0.8637
68 XFE 0.8636
69 A4V 0.8633
70 M4E 0.8629
71 MUR 0.8625
72 NBG 0.8620
73 2O6 0.8620
74 JF1 0.8619
75 I4D 0.8617
76 EYY 0.8607
77 CR1 0.8604
78 GI1 0.8588
79 EXG 0.8580
80 G1P 0.8578
81 EV3 0.8576
82 ONZ 0.8561
83 0J4 0.8556
84 96R 0.8554
85 N1E 0.8538
86 Q9Y 0.8533
87 JND 0.8521
88 CTN 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6Q55; Ligand: HJB; 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: 6q55.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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