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 280 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 247 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 177 families.
1 4NC7 - I3C C8 H4 I3 N O4 c1(c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: I3C; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 I3C 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4NC7; Ligand: I3C; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4NC7; Ligand: I3C; Similar sites found: 124
This union binding pocket(no: 2) in the query (biounit: 4nc7.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2JBZ COA 0.005281 0.46274 None
2 1XVV CCQ 0.004294 0.46108 None
3 2WGC SIA GAL BGC 0.004187 0.44208 None
4 1VDC FAD 0.01514 0.44071 None
5 4NAT ADP 0.03369 0.43947 None
6 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.03612 0.42241 None
7 1C0I FAD 0.04187 0.41646 None
8 1C0I BE2 0.04187 0.41646 None
9 1U7Z PMT 0.02583 0.41612 None
10 3WCS MAN NAG GAL 0.007632 0.41208 None
11 2DTJ THR 0.008086 0.41096 None
12 2ALG DAO 0.01988 0.40708 None
13 2ALG HP6 0.01988 0.40708 None
14 6FIV 3TL 0.01525 0.40314 None
15 1TDF NAP 0.03304 0.4359 2.0202
16 1TDF FAD 0.01813 0.4359 2.0202
17 3HY3 10F 0.006391 0.43351 2.0202
18 2GJ3 FAD 0.006862 0.43042 2.0202
19 1F7L COA 0.03141 0.41244 2.0202
20 1OAA OAA 0.005713 0.45876 3.0303
21 1R5A GTS 0.0007285 0.45453 3.0303
22 3TCT 3MI 0.01852 0.43924 3.0303
23 3WUC GLC GAL 0.002335 0.42266 3.0303
24 2B82 ADN 0.02066 0.4063 3.0303
25 1XHL NDP 0.0442 0.40348 3.0303
26 2YC5 6BC 0.006287 0.44857 4.0404
27 1P72 ADP 0.005271 0.44753 4.0404
28 2QIA U20 0.02925 0.4293 4.0404
29 4G1V FAD 0.01158 0.42709 4.0404
30 1YOA FMN 0.0141 0.41507 4.0404
31 2Q97 ATP 0.01579 0.4134 4.0404
32 1UXG FUM 0.04072 0.4112 4.0404
33 1UXG NAD 0.04072 0.4112 4.0404
34 1J5P NAD 0.03338 0.40485 4.0404
35 3FKQ ATP 0.02155 0.40023 4.0404
36 2B4Q NAP 0.04676 0.40006 4.0404
37 3IO3 ADP 0.0007465 0.46944 5.05051
38 1VQ2 DDN 0.03254 0.43172 5.05051
39 1SSQ CYS 0.02215 0.43106 5.05051
40 2XBN PMP 0.009258 0.42895 5.05051
41 1MVN FMN 0.03642 0.41365 5.05051
42 1DSS NAD 0.03219 0.40303 5.05051
43 3H86 AP5 0.0364 0.42435 6.06061
44 2YCJ C2F 0.005603 0.42285 6.06061
45 1NF8 BOG 0.003122 0.41359 6.06061
46 2YBQ UP2 0.04061 0.40939 6.06061
47 3C1O NAP 0.02223 0.40936 6.06061
48 1ULE GLA GAL NAG 0.00628 0.40755 6.06061
49 4R33 TRP 0.04358 0.40484 6.06061
50 4R33 SAH 0.04358 0.40484 6.06061
51 1QRD FAD 0.0261 0.40458 6.06061
52 2H8Z 8CM 0.04014 0.40216 6.06061
53 2H8Z FMN 0.04014 0.40216 6.06061
54 2YBQ SAH 0.02434 0.40131 6.06061
55 2IMP NAI 0.03039 0.44093 7.07071
56 2AMV BIN 0.02516 0.4309 7.07071
57 2GSD NAD 0.01437 0.43085 7.07071
58 4MZ7 DGT 0.01538 0.42369 7.07071
59 1KOL NAD 0.02112 0.42359 7.07071
60 4MZ7 DTP 0.01681 0.42181 7.07071
61 4HZD COA 0.02387 0.41993 7.07071
62 3GZ8 APR 0.02586 0.40885 7.07071
63 3DDC GNP 0.02916 0.4051 7.07071
64 1ITZ TPP 0.02728 0.40367 7.07071
65 3H22 B53 0.0151 0.40334 7.07071
66 1RYI GOA 0.001721 0.47177 8.08081
67 1Q0H FOM 0.02889 0.42475 8.08081
68 1Q0H NDP 0.03097 0.42475 8.08081
69 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.04137 0.41264 8.08081
70 2OZE AGS 0.01467 0.4098 8.08081
71 3CBG 4FE 0.0006296 0.4001 8.08081
72 1SS4 CIT 0.003045 0.48979 9.09091
73 2ZWS PLM 0.009235 0.4245 9.09091
74 2YPO PHE 0.01533 0.42376 9.09091
75 3P0K FAD 0.01012 0.4225 9.09091
76 1LL2 UPG 0.02244 0.40461 9.09091
77 3S6T OAN 0.003741 0.43517 10.101
78 2D37 FMN 0.008976 0.43103 10.101
79 2D37 NAD 0.009591 0.43103 10.101
80 3U5S FAD 0.01054 0.42 10.101
81 2R40 20E 0.01696 0.41497 10.101
82 2R40 EPH 0.02766 0.41185 10.101
83 1H2B NAJ 0.03797 0.40782 10.101
84 1IUP ALQ 0.004293 0.45055 11.1111
85 2CSN CKI 0.003884 0.4469 11.1111
86 4AP9 1PS 0.006926 0.42674 11.1111
87 1Y1A GSH 0.02012 0.41332 11.1111
88 2V5E SCR 0.01115 0.4114 11.1111
89 3PJU C2E 0.03576 0.40213 11.1111
90 4PO2 ASN ARG LEU LEU LEU THR GLY 0.01032 0.42209 12.1212
91 1T8U UAP SGN IDS SGN 0.02584 0.42116 12.1212
92 1D6H COA 0.01389 0.43928 13.1313
93 1T57 FMN 0.02104 0.40751 13.1313
94 1L2T ATP 0.008257 0.42826 14.1414
95 1R6D DAU 0.03287 0.42632 14.1414
96 1R6D NAD 0.03388 0.42632 14.1414
97 3RO7 TDR 0.01612 0.42016 14.1414
98 4LWA Q13 0.0445 0.41015 14.1414
99 1P9P SAH 0.02283 0.40583 14.1414
100 3TA2 AKG 0.01628 0.42125 15.1515
101 1I7L ATP 0.01635 0.41424 15.1515
102 4E1N TQX 0.01606 0.41305 15.1515
103 3TA2 ATP 0.03437 0.4105 15.1515
104 1TIW TFB 0.04665 0.40821 15.1515
105 1TIW FAD 0.04665 0.40821 15.1515
106 3SQG COM 0.01275 0.40856 17.1717
107 3S9K CIT 0.04751 0.40472 17.1717
108 2NX1 RP5 0.03803 0.40209 17.1717
109 1QJC PNS 0.03423 0.42574 18.1818
110 3PVT 3HC 0.04638 0.40742 18.1818
111 4USQ FAD 0.04474 0.4053 18.1818
112 1OLS TDP 0.0329 0.42106 19.1919
113 2C7G FAD 0.03948 0.42416 20.202
114 2C7G ODP 0.03836 0.42416 20.202
115 4CKL SM8 0.02411 0.40314 20.202
116 4G10 GSH 0.01858 0.40127 23.2323
117 1E7S NAP 0.008309 0.43915 25.2525
118 4NE2 ADP 0.0473 0.40307 25.2525
119 1YBH FAD 0.03265 0.41697 26.2626
120 1NU4 MLA 0.0008788 0.47672 27.2727
121 3B96 FAD 0.01885 0.42705 28.2828
122 1NZY BCA 0.03644 0.403 32.3232
123 3BLI ACO 0.01314 0.41716 33.3333
124 1UJ5 5RP 0.01287 0.40427 37.3737
Pocket No.: 3; Query (leader) PDB : 4NC7; Ligand: I3C; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4nc7.bio4) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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