Receptor
PDB id Resolution Class Description Source Keywords
4Y7U 1.7 Å EC: 2.-.-.- STRUCTURAL ANALYSIS OF MURU PSEUDOMONAS PUTIDA (STRAIN BIRD-1) NUCLEOTIDYLTRANSFERASE FAMILY PROTEIN URIDYLTRANSFERASE ROFOLD MURNAC-1P TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE N-ACETYLMURAMIC ACID ALPHA-1-PHOSPHATE (MURNAC-ALPHA 1-P) URIDYLYLTRANSF MURU, A MINIMAL SUGAR NUCLEOTIDYLTRANSFERASE AND PO DRUG TARGET ENZYME IN GRAM-NEGATIVE PATHOGENS. J.BIOL.CHEM. V. 290 10804 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2KH A:306;
Valid;
none;
submit data
483.156 C9 H16 N3 O14 P3 C1=CN...
SO4 A:303;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
MG A:304;
A:305;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
GOL A:301;
A:302;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
491 A:307;
Valid;
none;
submit data
373.25 C11 H20 N O11 P C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4Y7U 1.7 Å EC: 2.-.-.- STRUCTURAL ANALYSIS OF MURU PSEUDOMONAS PUTIDA (STRAIN BIRD-1) NUCLEOTIDYLTRANSFERASE FAMILY PROTEIN URIDYLTRANSFERASE ROFOLD MURNAC-1P TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE N-ACETYLMURAMIC ACID ALPHA-1-PHOSPHATE (MURNAC-ALPHA 1-P) URIDYLYLTRANSF MURU, A MINIMAL SUGAR NUCLEOTIDYLTRANSFERASE AND PO DRUG TARGET ENZYME IN GRAM-NEGATIVE PATHOGENS. J.BIOL.CHEM. V. 290 10804 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 4Y7V - 491 C11 H20 N O11 P C[C@H](C(=....
2 4Y7U - 491 C11 H20 N O11 P C[C@H](C(=....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 4Y7V - 491 C11 H20 N O11 P C[C@H](C(=....
2 4Y7U - 491 C11 H20 N O11 P C[C@H](C(=....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 4Y7V - 491 C11 H20 N O11 P C[C@H](C(=....
2 4Y7U - 491 C11 H20 N O11 P C[C@H](C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2KH; Similar ligands found: 92
No: Ligand ECFP6 Tc MDL keys Tc
1 2KH 1 1
2 U 0.735294 0.955224
3 U5P 0.735294 0.955224
4 UDP 0.722222 0.970149
5 UNP 0.710526 1
6 UTP 0.693333 0.970149
7 44P 0.680556 0.928571
8 UDP UDP 0.653333 0.911765
9 UPU 0.609756 0.913043
10 URM 0.604651 0.901408
11 660 0.604651 0.901408
12 GUD 0.586207 0.914286
13 GDU 0.586207 0.914286
14 UPG 0.586207 0.914286
15 UFM 0.586207 0.914286
16 DUP 0.585366 0.915493
17 UPP 0.574713 0.914286
18 UDH 0.574713 0.842105
19 UFG 0.566667 0.864865
20 UPF 0.566667 0.864865
21 U2F 0.566667 0.864865
22 URI 0.565217 0.838235
23 Y6W 0.561798 0.864865
24 UAD 0.549451 0.914286
25 UDX 0.549451 0.914286
26 3UC 0.542553 0.864865
27 UDM 0.541667 0.888889
28 UGA 0.537634 0.927536
29 USQ 0.537634 0.8
30 UGB 0.537634 0.927536
31 G3N 0.531915 0.888889
32 UD2 0.530612 0.901408
33 UD1 0.530612 0.901408
34 U U 0.521739 0.927536
35 CJB 0.520548 0.797101
36 UD7 0.504951 0.901408
37 HP7 0.504951 0.914286
38 MJZ 0.5 0.888889
39 U3P 0.5 0.911765
40 UA3 0.5 0.911765
41 HWU 0.495146 0.876712
42 12V 0.495146 0.876712
43 F5G 0.495146 0.901408
44 UD4 0.495146 0.888889
45 F5P 0.495146 0.888889
46 CSV 0.494949 0.828947
47 CSQ 0.494949 0.828947
48 U4S 0.4875 0.733333
49 EPZ 0.481481 0.888889
50 EPU 0.477064 0.876712
51 EEB 0.477064 0.876712
52 UP5 0.476636 0.831169
53 UDZ 0.476636 0.88
54 U2S 0.47561 0.746667
55 U3S 0.47561 0.733333
56 IUG 0.471698 0.835443
57 U2P 0.4625 0.926471
58 U1S 0.461538 0.730769
59 DUN 0.45977 0.915493
60 4TC 0.454545 0.810127
61 UMA 0.444444 0.888889
62 DKX 0.443038 0.726027
63 5BU 0.440476 0.888889
64 PUP 0.438776 0.887324
65 A U 0.4375 0.78481
66 5FU 0.433735 0.888889
67 CDP 0.431818 0.915493
68 G U 0.429825 0.768293
69 C 0.428571 0.901408
70 C5P 0.428571 0.901408
71 CAR 0.428571 0.901408
72 U U U U 0.427083 0.913043
73 U21 0.422764 0.790123
74 U22 0.422764 0.771084
75 U20 0.422764 0.790123
76 UTP U U U 0.42268 0.869565
77 UMF 0.421687 0.833333
78 DUD 0.420455 0.887324
79 16B 0.418605 0.890411
80 CTP 0.417582 0.915493
81 DUT 0.417582 0.887324
82 HF4 0.417582 0.915493
83 2QR 0.416 0.802469
84 UUA 0.415584 0.75
85 UMP 0.411765 0.873239
86 DU 0.411765 0.873239
87 CNU 0.409091 0.901408
88 5GW 0.40625 0.915493
89 4RA 0.40458 0.833333
90 N3E 0.404494 0.714286
91 UC5 0.404494 0.875
92 S5P 0.4 0.890411
Ligand no: 2; Ligand: 491; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 491 1 1
2 AMU 0.603175 0.759259
3 NG1 0.555556 0.944444
4 GN1 0.555556 0.944444
5 EPZ 0.5 0.728571
6 AH0 0.438356 0.672414
7 UMA 0.419643 0.728571
8 EEB 0.411215 0.71831
9 MUR 0.405797 0.654545
10 GAL MGC 0.405405 0.706897
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4Y7U; Ligand: 2KH; 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: 4y7u.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4Y7U; Ligand: 491; 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: 4y7u.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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