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Receptor
PDB id Resolution Class Description Source Keywords
1RTW 2.35 Å NON-ENZYME: TRANSCRIPT_TRANSLATE X-RAY STRUCTURE OF PF1337, A TENA HOMOLOGUE FROM PYROCOCCUS NORTHEAST STRUCTURAL GENOMICS RESEARCH CONSORTIUM (NESG) TA PYROCOCCUS FURIOSUS PF1337 TENA THIAMIN STRUCTURAL GENOMICS PSI PROTEIN STRINITIATIVE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM NESGFUNCTION
Ref.: THE 2.35 A STRUCTURE OF THE TENA HOMOLOG FROM PYROC FURIOSUS SUPPORTS AN ENZYMATIC FUNCTION IN THIAMINE METABOLISM. ACTA CRYSTALLOGR.,SECT.D V. 61 589 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MP5 A:1213;
Valid;
none;
submit data
219.135 C6 H10 N3 O4 P Cc1nc...
PO4 B:2214;
C:3214;
D:4214;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RTW 2.35 Å NON-ENZYME: TRANSCRIPT_TRANSLATE X-RAY STRUCTURE OF PF1337, A TENA HOMOLOGUE FROM PYROCOCCUS NORTHEAST STRUCTURAL GENOMICS RESEARCH CONSORTIUM (NESG) TA PYROCOCCUS FURIOSUS PF1337 TENA THIAMIN STRUCTURAL GENOMICS PSI PROTEIN STRINITIATIVE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM NESGFUNCTION
Ref.: THE 2.35 A STRUCTURE OF THE TENA HOMOLOG FROM PYROC FURIOSUS SUPPORTS AN ENZYMATIC FUNCTION IN THIAMINE METABOLISM. ACTA CRYSTALLOGR.,SECT.D V. 61 589 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 1RTW - MP5 C6 H10 N3 O4 P Cc1ncc(c(n....
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 1RTW - MP5 C6 H10 N3 O4 P Cc1ncc(c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1RTW - MP5 C6 H10 N3 O4 P Cc1ncc(c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MP5; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 MP5 1 1
2 HMH 0.511111 0.686275
3 TPS 0.449275 0.705882
4 PMP 0.438596 0.728814
5 TPU 0.430556 0.7
6 PLR 0.425926 0.678571
7 DPX 0.424658 0.705882
8 TPW 0.424658 0.723077
9 G8G 0.418919 0.661972
10 TZD 0.413333 0.631579
11 FQP 0.409836 0.872727
12 TPP 0.407895 0.676056
13 PYI 0.407895 0.712121
14 PLP 0.403509 0.666667
15 8FL 0.402597 0.64
16 8EO 0.402597 0.64
17 8EL 0.402597 0.64
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RTW; Ligand: MP5; Similar sites found with APoc: 93
This union binding pocket(no: 1) in the query (biounit: 1rtw.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3ZUY TCH None
2 5CSD ACD None
3 1UVC STE None
4 2PHN GDP None
5 2OZ5 7XY 0.909091
6 3G5N PB2 0.909091
7 1OYF MHN 1.65289
8 5FPN KYD 2.72727
9 2OFV 242 2.72727
10 5GUE GGS 2.72727
11 5ICK FEZ 3.18182
12 6BR8 PGV 3.18182
13 1IYK MYA 3.18182
14 2YNC YNC 3.18182
15 3BEJ MUF 3.18182
16 2P1C GG3 3.63636
17 2IYA UDP 3.63636
18 4ONA UW1 3.63636
19 3ACT BGC 3.63636
20 5B25 4QJ 3.63636
21 2VHW NAI 4.09091
22 4DK7 0KS 4.09091
23 4OKZ 3E9 4.09091
24 3KFC 61X 4.09091
25 4MG7 27H 4.09091
26 4MGB XDH 4.09091
27 3RYC GDP 4.09091
28 5HYR EST 4.09091
29 5DXE EST 4.09091
30 3EWC MCF 4.09091
31 5WGD EST 4.09091
32 5WGQ EST 4.09091
33 5K53 STE 4.09091
34 3RYC GTP 4.09091
35 3UUD EST 4.09091
36 4MGA 27L 4.09091
37 4G86 BNT 4.54545
38 1IID NHM 4.54545
39 5APK 76E 4.54545
40 5EUD 5S6 4.54545
41 3OV6 MK0 5
42 4UBS DIF 5
43 1OLM VTQ 5
44 1OPK MYR 5
45 2AEL SAZ 5
46 1O6U PLM 5
47 5TDU PCR 5.45455
48 3RMK BML 5.45455
49 3RUG DB6 5.45455
50 3IPQ 965 5.90909
51 3FAL LO2 5.90909
52 3FAL REA 5.90909
53 1ZUI SKM 5.95238
54 4O08 PO6 6.36364
55 3PF7 MLA 6.81818
56 1SR7 MOF 6.81818
57 3D9F FAD 7.27273
58 3D9F N6C 7.27273
59 4B7X NAP 7.27273
60 4LZJ 22H 7.72727
61 4WX0 HXD 8.18182
62 5HCN DAO 8.42912
63 3LDW IPE 8.63636
64 3LDW ZOL 8.63636
65 3PVT 3HC 9.54545
66 6BQC LOP 9.54545
67 5H62 UDP 9.54545
68 3H0A 9RA 10
69 2HFP NSI 10
70 2OKL BB2 10.2703
71 5LPG 71V 10.3659
72 4DXJ IPE 10.4545
73 4DXJ 0M9 10.4545
74 3WUR O4B 11.1111
75 4LY9 1YY 11.3636
76 4LY9 S6P 11.3636
77 2C6Q NDP 11.3636
78 4ZBR NPS 11.3636
79 4ZBR DIF 11.3636
80 4GU5 FAD 11.3636
81 6CB2 OLC 11.3636
82 1G63 FMN 12.2727
83 5K52 OCD 15.9091
84 4OGQ 7PH 16.129
85 2FYU FDN 16.3636
86 2DYS TGL 16.4706
87 1HBK MYR 16.8539
88 6BMS PLM 26.3636
89 1TO9 HMH 39.5455
90 2QCX PF1 40.9091
91 2F2G HMH 42.7273
92 2Q4X HMH 42.7273
93 4P6X HCY 42.8571
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