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Receptor
PDB id Resolution Class Description Source Keywords
3HZS 2.1 Å EC: 2.4.-.- S. AUREUS MONOFUNCTIONAL GLYCOSYLTRANSFERASE (MTGA)IN COMPLE MOENOMYCIN STAPHYLOCOCCUS AUREUS SUBSP. AUREUS TRANSGLYCOSYLASE PEPTIDOGLYCAN MONOFUNCTIONAL MOENOMYCINMEMBRANE CELL SHAPE CELL WALL BIOGENESIS/DEGRADATION GLYCOSYLTRANSFERASE MEMBRANE PEPTIDOGLYCAN SYNTHESIS TRATRANSMEMBRANE
Ref.: CHARACTERIZATION OF THE ACTIVE SITE OF S. AUREUS MONOFUNCTIONAL GLYCOSYLTRANSFERASE (MTG) BY SITE-DI MUTATION AND STRUCTURAL ANALYSIS OF THE PROTEIN COM WITH MOENOMYCIN J.STRUCT.BIOL. V. 167 129 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
M0E A:901;
Valid;
none;
submit data
1580.57 C69 H106 N5 O34 P C[C@@...
PO4 A:1;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6FTB 2.1 Å EC: 2.4.-.- STAPHYLOCOCCUS AUREUS MONOFUNCTIONAL GLYCOSYLTRANSFERASE IN WITH MOENOMYCIN STAPHYLOCOCCUS AUREUS MW2 TRANSGLYCOSYLASE PEPTIDOGLYCAN MONOFUNCTIONAL MOENOMYCININHIBITOR MEMBRANE CELL SHAPE CELL WALL BIOSYNTHESIS GLYCOSYLTRANSFERASE PEPTIDOGLYCAN SYNTHESIS TRANSFERASE ANTIBIOTICS
Ref.: THE ROLE OF THE JAW SUBDOMAIN OF PEPTIDOGLYCAN GLYCOSYLTRANSFERASES FOR LIPID II POLYMERIZATION. CELL SURF V. 2 54 2018
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3HZS - M0E C69 H106 N5 O34 P C[C@@H]1[C....
2 6FTB - M0E C69 H106 N5 O34 P C[C@@H]1[C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3HZS - M0E C69 H106 N5 O34 P C[C@@H]1[C....
2 6FTB - M0E C69 H106 N5 O34 P C[C@@H]1[C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3D3H - M4O C49 H80 N5 O32 P C[C@@H]1[C....
2 3HZS - M0E C69 H106 N5 O34 P C[C@@H]1[C....
3 6FTB - M0E C69 H106 N5 O34 P C[C@@H]1[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: M0E; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 M0E 1 1
2 M4O 0.743017 0.945946
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6FTB; Ligand: M0E; Similar sites found with APoc: 26
This union binding pocket(no: 1) in the query (biounit: 6ftb.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO5 PIH None
2 3RHC GSH None
3 6CB2 OLC 1.90476
4 1Q7E MET 2.38095
5 2HHP FLC 2.85714
6 3O01 DXC 2.85714
7 5J3R GSH 3.44828
8 5U97 PIT 3.80952
9 4DDY DN6 4.28571
10 4DE2 DN3 4.28571
11 2W58 ADP 4.45545
12 3B8I OXL 4.7619
13 5T63 ALA ALA ALA ALA 5.2381
14 5C1M OLC 5.71429
15 1RL4 BL5 5.85106
16 5E5U MLI 6.19048
17 4G86 BNT 6.19048
18 5DYO FLU 6.19048
19 5FJJ MAN 6.66667
20 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 7.89474
21 1DKU AP2 8.09524
22 5TVI MYR 8.69565
23 4RW3 TDA 9.04762
24 6C0B MLI 10.4762
25 1JGS SAL 23.1884
26 5HLD M0E 40
Pocket No.: 2; Query (leader) PDB : 6FTB; Ligand: M0E; Similar sites found with APoc: 24
This union binding pocket(no: 2) in the query (biounit: 6ftb.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 2ASF CIT 2.18978
2 3PMA SCR 2.85714
3 1NFU RRP 2.85714
4 2P3V SRT 2.85714
5 5WKC PXD 3.33333
6 6CS8 F9Y 3.33333
7 2GWH PCI 4.7619
8 6F9G PUT 4.7619
9 4EHQ GBL 5.40541
10 4V3I ASP LEU THR ARG PRO 5.71429
11 3KP6 SAL 5.96026
12 1GEG GLC 6.19048
13 4Z7X 3CX 6.19048
14 1M2Z BOG 6.66667
15 1ZED PNP 6.66667
16 4IPN 1FT 6.66667
17 1NU4 MLA 8.24742
18 2F7C CCU 8.58369
19 5DZT AMP 9.04762
20 4RJD TFP 9.09091
21 2Y69 CHD 11.4286
22 5W97 CHD 33.8983
23 5ZCO CHD 33.8983
24 5Z84 CHD 33.8983
Pocket No.: 3; Query (leader) PDB : 6FTB; Ligand: M0E; Similar sites found with APoc: 146
This union binding pocket(no: 3) in the query (biounit: 6ftb.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 2DJH 3PD UM3 None
2 1XCL SAH None
3 2ZFZ ARG None
4 4DXJ IPE 0.952381
5 4DXJ 0M9 0.952381
6 3TUR 6CL 1.42857
7 2XWL CTP 1.90476
8 3IE3 N11 1.91388
9 3IE3 GSH 1.91388
10 1B55 4IP 2.36686
11 1JXZ BCA 2.38095
12 1NZY BCA 2.38095
13 1I9G SAM 2.38095
14 6C0T EE4 2.38095
15 2J07 FAD 2.38095
16 2J07 HDF 2.38095
17 4IV9 FAD 2.38095
18 1XOC VAL ASP SER LYS ASN THR SER SER TRP 2.38095
19 3IHG FAD 2.38095
20 4BVA T3 2.68657
21 3MQ2 SAH 2.75229
22 4BR5 ANP 2.85714
23 1V5F FAD 2.85714
24 1V5F TPP 2.85714
25 3GDH SAH 2.85714
26 3FHR P4O 2.85714
27 1EZ0 NAP 2.85714
28 1XTP SAI 2.85714
29 5HS2 CTP 2.85714
30 1O97 AMP 2.85714
31 1O97 FAD 2.85714
32 1RGE 2GP 3.125
33 3KRO PPV 3.33333
34 3KRO IPE 3.33333
35 3MAX LLX 3.33333
36 4L3L 5FI 3.33333
37 5TG5 JW8 3.33333
38 2PWY SAH 3.33333
39 4OHB 5HM 3.68421
40 1FUT 2GP 3.77358
41 1HV9 COA 3.80952
42 1XKD NAP 3.80952
43 1WVC CTP 3.80952
44 4M69 ANP 3.80952
45 4TXI FAD 3.80952
46 2AQJ FAD 3.80952
47 2AQJ TRP 3.80952
48 2O07 MTA 3.80952
49 2X06 NAD 3.80952
50 2O07 SPD 3.80952
51 5Z2L NDP 3.80952
52 3DCJ THH 4.28571
53 3AKK ADP 4.28571
54 2WOX NDP 4.28571
55 4ZON 4Q1 4.28571
56 4DE0 0JB 4.28571
57 4N70 2HX 4.28571
58 4DE3 DN8 4.28571
59 6GE9 ACO 4.28571
60 3E3U NVC 4.56853
61 5JNN 6LM 4.73684
62 3EYA FAD 4.7619
63 4LPG 1MV 4.7619
64 4Y7U 2KH 4.7619
65 1QH9 LAC 4.7619
66 1RM4 NDP 4.7619
67 2CDU FAD 4.7619
68 5TS5 FAD 4.7619
69 1RNT 2GP 4.80769
70 3KIH GDL 5.15464
71 4B3J COA 5.2381
72 3GBR PRP 5.2381
73 1SG4 CO8 5.2381
74 6BE3 NAG 5.2381
75 6HOY AR6 5.2381
76 6HOY TSN 5.2381
77 1RSG FAD 5.2381
78 1NVM NAD 5.2381
79 1OYB FMN 5.25
80 4QBK 3NZ 5.6701
81 2E9L PLM 5.71429
82 5EJL C2E 5.71429
83 2YG3 FAD 5.71429
84 3LST SAH 5.71429
85 3U31 NAD 5.71429
86 4HI0 GDP 5.71429
87 4RHY 3QG 5.71429
88 4IXH IMP 6.19048
89 1TL2 NDG 6.66667
90 1I52 CTP 6.66667
91 6GBC AMP 6.66667
92 4V0K GDP 7.10059
93 3KIF GDL 7.54717
94 2PUL ACP 7.61905
95 3V2U ATP 7.61905
96 1XTT U5P 7.61905
97 2VJM COA 7.61905
98 1VGR COA 7.61905
99 5H5F SAM 7.69231
100 2HRL SIA GAL SIA BGC NGA CEQ 7.87402
101 4HSU FAD 8.09524
102 4GUT FAD 8.09524
103 1YY5 FAD 8.09524
104 4FWE FAD 8.09524
105 5C2N NAG 8.33333
106 4QVX 3CQ 8.38323
107 5XKT GNP 8.5
108 4KGD TDP 8.57143
109 4KGD FAD 8.57143
110 2QF7 COA 8.57143
111 5Y77 FAD 8.57143
112 1QD0 RR6 8.59375
113 1PNO NAP 8.88889
114 1PZM 5GP 9.04762
115 2W5P CL8 9.39597
116 3FPF TNA 9.52381
117 3FPF MTA 9.52381
118 5MZI FAD 9.52381
119 5MZI FYK 9.52381
120 1ZQ9 SAM 9.52381
121 3X0D SAH 9.52381
122 1N07 FMN 9.81595
123 1N07 ADP 9.81595
124 1HGX 5GP 9.83607
125 2ZB4 5OP 10
126 2ZB4 NAP 10
127 3DGY 2GP 10.3093
128 1DMR PGD 10.9524
129 3ML1 MGD 11.8519
130 3O0Q TTP 11.9048
131 6EAC ANP 11.9048
132 1IIM TTP 12.381
133 1YBQ BDH 12.8571
134 3B2Q ATP 13.3333
135 4TM3 FAD 13.8095
136 5WGR FAD 14.2857
137 4ZDC CO8 14.2857
138 1ZUA TOL 14.2857
139 1ZUA NAP 14.2857
140 5IXB LGA 14.8148
141 2Z3Y F2N 15.7143
142 2WET FAD 18.5714
143 5XET ME8 18.5714
144 2X1L ADN 19.5238
145 3PVW QRX 22.973
146 1KEV NDP 23.8095
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