Receptor
PDB id Resolution Class Description Source Keywords
4NC7 2 Å EC: 1.-.-.- N-TERMINAL DOMAIN OF DELTA-SUBUNIT OF RNA POLYMERASE COMPLEX I3C AND NICKEL IONS BACILLUS SUBTILIS NUCLEUS TRANSCRIPTION
Ref.: X-RAY VS. NMR STRUCTURE OF N-TERMINAL DOMAIN OF DELTA-SUBUNIT OF RNA POLYMERASE. J.STRUCT.BIOL. V. 187 174 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NI B:101;
A:102;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
58.693 Ni [Ni+2...
I3C A:101;
 Valid;
 none;
 submit data
558.835 C8 H4 I3 N O4 c1(c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NC7 2 Å EC: 1.-.-.- N-TERMINAL DOMAIN OF DELTA-SUBUNIT OF RNA POLYMERASE COMPLEX I3C AND NICKEL IONS BACILLUS SUBTILIS NUCLEUS TRANSCRIPTION
Ref.: X-RAY VS. NMR STRUCTURE OF N-TERMINAL DOMAIN OF DELTA-SUBUNIT OF RNA POLYMERASE. J.STRUCT.BIOL. V. 187 174 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 4NC7 - I3C C8 H4 I3 N O4 c1(c(c(c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 337 families.
1 4NC7 - I3C C8 H4 I3 N O4 c1(c(c(c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 4NC7 - I3C C8 H4 I3 N O4 c1(c(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: I3C; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 I3C 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: I3C; Similar ligands found: 98
No: Ligand Similarity coefficient
1 BRV 0.9970
2 SYA 0.9298
3 3MG 0.9259
4 BNT 0.9216
5 I7A 0.9160
6 NBG 0.9025
7 I7B 0.9022
8 PFL 0.9019
9 CBF 0.9009
10 K3Q 0.8995
11 UQ 0.8958
12 67X 0.8952
13 BGC 0.8941
14 BDP 0.8934
15 RH1 0.8928
16 KGK 0.8923
17 PFB 0.8920
18 GCB 0.8915
19 MB1 0.8908
20 L7T 0.8896
21 7WR 0.8889
22 MT8 0.8882
23 CKU 0.8881
24 KIA 0.8868
25 KIB 0.8868
26 1U6 0.8863
27 DNA 0.8829
28 MXX 0.8823
29 GAL 0.8815
30 FBG 0.8811
31 EVA 0.8809
32 5NE 0.8806
33 3C1 0.8804
34 PHH 0.8799
35 3C2 0.8788
36 GCU 0.8788
37 PDC 0.8781
38 7B3 0.8780
39 DNC 0.8779
40 DNF 0.8774
41 GCS 0.8774
42 GLC 0.8761
43 NTZ 0.8761
44 5NS 0.8757
45 G12 0.8756
46 NAG 0.8754
47 9PY 0.8751
48 G3F 0.8744
49 HXX 0.8737
50 BSP 0.8737
51 KFH 0.8736
52 8S0 0.8736
53 6R8 0.8732
54 GOX 0.8732
55 M5N 0.8732
56 0GZ 0.8728
57 XQK 0.8728
58 8XQ 0.8726
59 IBM 0.8720
60 NDG 0.8691
61 K6X 0.8687
62 4XS 0.8686
63 PCI 0.8684
64 2D3 0.8674
65 PBR 0.8669
66 TNF 0.8667
67 8GK 0.8663
68 UFV 0.8662
69 JKZ 0.8658
70 D3M 0.8657
71 DX3 0.8653
72 IJZ 0.8652
73 TNL 0.8651
74 R6T 0.8642
75 MBG 0.8635
76 CFF 0.8632
77 G1P 0.8619
78 6VD 0.8618
79 HKD 0.8603
80 4AN 0.8601
81 CSN 0.8597
82 2ZQ 0.8584
83 HNQ 0.8584
84 TBS 0.8583
85 JTH 0.8580
86 K32 0.8578
87 OTD 0.8578
88 HLD 0.8572
89 SHG 0.8570
90 ROI 0.8567
91 E7Z 0.8567
92 K17 0.8564
93 LT3 0.8562
94 NVU 0.8548
95 FLV 0.8544
96 7I2 0.8542
97 LI6 0.8535
98 KYA 0.8530
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4NC7; Ligand: I3C; 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: 4nc7.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4NC7; Ligand: I3C; 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: 4nc7.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4NC7; Ligand: I3C; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4nc7.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4NC7; Ligand: I3C; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4nc7.bio4) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4NC7; Ligand: I3C; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4nc7.bio4) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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