Receptor
PDB id Resolution Class Description Source Keywords
4QAR 1.45 Å NON-ENZYME: OTHER 1.45 A RESOLUTION STRUCTURE OF CT263 (MTAN) FROM CHLAMYDIA T BOUND TO ADENINE CHLAMYDIA TRACHOMATIS CHLAMYDIA QUINONES NUCLEOSIDASE FUTALOSINE PATHWAY PRODUHYDROLASE
Ref.: STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF CHLA TRACHOMATIS HYPOTHETICAL PROTEIN CT263 SUPPORTS THA MENAQUINONE SYNTHESIS OCCURS THROUGH THE FUTALOSINE J.BIOL.CHEM. V. 289 32214 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADE B:201;
Valid;
none;
submit data
135.127 C5 H5 N5 c1[nH...
SO4 A:201;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4QAR 1.45 Å NON-ENZYME: OTHER 1.45 A RESOLUTION STRUCTURE OF CT263 (MTAN) FROM CHLAMYDIA T BOUND TO ADENINE CHLAMYDIA TRACHOMATIS CHLAMYDIA QUINONES NUCLEOSIDASE FUTALOSINE PATHWAY PRODUHYDROLASE
Ref.: STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF CHLA TRACHOMATIS HYPOTHETICAL PROTEIN CT263 SUPPORTS THA MENAQUINONE SYNTHESIS OCCURS THROUGH THE FUTALOSINE J.BIOL.CHEM. V. 289 32214 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4QAT - MTA C11 H15 N5 O3 S CSC[C@@H]1....
2 4QAR - ADE C5 H5 N5 c1[nH]c2c(....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4QAT - MTA C11 H15 N5 O3 S CSC[C@@H]1....
2 4QAR - ADE C5 H5 N5 c1[nH]c2c(....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4QAT - MTA C11 H15 N5 O3 S CSC[C@@H]1....
2 4QAR - ADE C5 H5 N5 c1[nH]c2c(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 ADE 1 1
2 PM6 0.5 0.742857
3 ES4 0.463415 0.685714
4 6AP 0.428571 0.9375
5 XQG 0.422222 0.648649
6 M02 0.411765 0.630435
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4QAR; Ligand: ADE; Similar sites found: 78
This union binding pocket(no: 1) in the query (biounit: 4qar.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FUI APY 0.002759 0.42931 None
2 3EGI ADP 0.006391 0.42459 None
3 4PNE SAH 0.009496 0.4118 None
4 5U5G 7VD 0.01582 0.40486 None
5 1G2O IMH 0.00000454 0.53555 1.49254
6 4LH7 NMN 0.01601 0.40515 1.49254
7 3OND ADN 0.0219 0.41893 1.99005
8 3OND NAD 0.0219 0.41893 1.99005
9 3EUF BAU 0.00004262 0.50465 2.48756
10 1B8O IMH 0.00000355 0.46392 2.48756
11 1O9J NAD 0.02434 0.40043 2.48756
12 4WKB TDI 0.00000000175 0.72123 2.98507
13 3BJE URA 0.000001434 0.49636 2.98507
14 4YJK URA 0.000006665 0.45763 2.98507
15 1C3X 8IG 0.00003238 0.43797 2.98507
16 4OKD GLC GLC GLC 0.0162 0.40784 2.98507
17 2E7Z MGD 0.02484 0.40551 2.98507
18 3BJE R1P 0.002781 0.40211 2.98507
19 1IM8 SAI 0.01336 0.40159 2.98507
20 4BTV RB3 0.02099 0.40036 2.98507
21 5EWK P34 0.02038 0.40218 3
22 3AB4 LYS 0.008932 0.404 3.08789
23 5ETJ IM5 0.00002473 0.5558 3.48259
24 5F7J ADE 0.000001453 0.52189 3.48259
25 5E72 SAM 0.01016 0.40882 3.48259
26 3RG9 WRA 0.02595 0.40751 3.48259
27 3RG9 NDP 0.02477 0.40658 3.48259
28 1GPM AMP 0.01854 0.40592 3.48259
29 3U40 ADN 0.0000001842 0.61106 3.9801
30 1Q0S SAH 0.00213 0.444 3.9801
31 3OBT SLB 0.008426 0.40751 3.9801
32 2XIQ MLC 0.01932 0.4053 3.9801
33 5MX4 HPA 0.00000005588 0.69098 4.47761
34 1JE1 GMP 0.00000244 0.42121 4.47761
35 1XTP SAI 0.005716 0.4151 4.47761
36 3A16 PXO 0.007312 0.41378 4.47761
37 3SSO SAH 0.03066 0.4057 4.47761
38 1TLG GAL 0.008415 0.40956 4.8
39 3QPB URA 0.0000009499 0.50239 4.97512
40 2WOX NDP 0.01481 0.41555 4.97512
41 2WME NAP 0.007166 0.41057 4.97512
42 3VC1 SAH 0.03287 0.40417 4.97512
43 3VC1 GST 0.03287 0.40417 4.97512
44 2XTS MTE 0.01237 0.40316 4.97512
45 2ZFZ ARG 0.02947 0.41076 5.06329
46 2A8Y MTA 0.0000008015 0.59492 5.47264
47 3BL6 FMC 0.0006302 0.49106 5.47264
48 2E5V FAD 0.04505 0.4013 5.47264
49 1GZF NIR 0.01866 0.40126 5.47264
50 2BZG SAH 0.002613 0.43073 5.97015
51 4LOC OXM 0.01523 0.40015 5.97015
52 3DJF BC3 0.000002327 0.58124 6.46766
53 3KVY URA 0.00001074 0.48162 6.96517
54 3KVY R2B 0.0005515 0.41101 6.96517
55 4BMX ADE 0.0000000006564 0.73367 7.46269
56 1NW4 IMH 0.000003707 0.55238 7.46269
57 1U1F 183 0.00006177 0.54497 7.46269
58 1VMK GUN 0.00000173 0.49775 7.94224
59 1CT9 AMP 0.01063 0.40456 7.9602
60 4I8P NAD 0.01897 0.40916 8.95522
61 5G3U FDA 0.03213 0.40286 8.95522
62 2BVE PH5 0.02114 0.40293 9.2437
63 1ODJ GMP 0.0000007416 0.58384 9.95025
64 2A0W DIH 0.007953 0.45581 10.9453
65 2Q89 6CS 0.006804 0.41834 10.9453
66 1ZOS MTM 0.000000001218 0.68859 11.4428
67 5IFK HPA 0.0000004797 0.63789 11.4428
68 4TXJ THM 0.00001838 0.55096 11.4428
69 2P4S DIH 0.00000948 0.52488 11.4428
70 4NZ6 DLY 0.01707 0.40759 12.4378
71 1GXS DKA 0.01119 0.41394 14.557
72 1VHW ADN 0.000003946 0.56688 14.9254
73 4UUG PXG 0.01105 0.41022 15.4229
74 4CE5 PDG 0.01646 0.40344 17.4129
75 3E5P PPI 0.009071 0.41516 18.9055
76 1U1J MET 0.01135 0.40801 25.8706
77 3LGS ADE 0.00000004397 0.64986 29.3532
78 3LGS SAH 0.00000004397 0.64986 29.3532
Pocket No.: 2; Query (leader) PDB : 4QAR; Ligand: ADE; Similar sites found: 35
This union binding pocket(no: 2) in the query (biounit: 4qar.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3P0F BAU 0.00003893 0.49515 None
2 3LL5 ATP 0.01235 0.40147 0.995025
3 3LL5 ADP 0.02982 0.40054 0.995025
4 4B2Z P5S 0.01115 0.42481 1.49254
5 4PIO SAH 0.01355 0.41744 2.48756
6 4PIO AVI 0.01286 0.41744 2.48756
7 1ZEM NAD 0.01849 0.4024 2.48756
8 3HVJ 705 0.01831 0.4141 2.98507
9 4US3 TRP 0.00751 0.40769 3.07692
10 2AC7 ADN 0.000005591 0.56995 3.48259
11 2EFJ SAH 0.007767 0.40702 3.48259
12 2BJK NAD 0.01167 0.42063 4.47761
13 4GQB 0XU 0.01333 0.40635 4.47761
14 1I8T FAD 0.03017 0.40515 4.47761
15 1KYZ FER 0.02081 0.40125 4.47761
16 3BGD PM6 0.00503 0.43086 4.97512
17 3BGD SAH 0.003735 0.43086 4.97512
18 3HDY FDA 0.03025 0.42046 5.47264
19 1KOL NAD 0.01555 0.41663 5.47264
20 3HDY FAD 0.03681 0.41536 5.47264
21 3HDY GDU 0.03726 0.41507 5.47264
22 1GR0 NAD 0.02715 0.40256 5.47264
23 2CIG 1DG 0.04169 0.40063 5.66038
24 3A4T SFG 0.009997 0.40914 5.97015
25 4I3V NAD 0.02998 0.40146 5.97015
26 1WDK NAD 0.01155 0.40778 6.46766
27 1R37 NAD 0.0136 0.41736 6.96517
28 1NAA 6FA 0.03998 0.40318 7.9602
29 4FZV SAM 0.006976 0.41476 8.45771
30 1KPH SAH 0.01553 0.40016 8.45771
31 1Z34 2FD 0.000001063 0.58506 8.95522
32 2IV2 2MD 0.02177 0.40397 9.45274
33 1K27 MTM 0.0000003311 0.61264 13.9303
34 1XHC FAD 0.02794 0.40398 18.408
35 4DA6 GA2 0.0000003933 0.59623 21.393
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