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Receptor
PDB id Resolution Class Description Source Keywords
5MPQ 1.78 Å EC: 4.2.2.- BULGECIN A: THE KEY TO A BROAD-SPECTRUM INHIBITOR THAT TARGE TRANSGLYCOSYLASES NEISSERIA MENINGITIDIS BULGECIN A LTGA LYTIC TRANSGLYCOSYLASE PEPTIDOGLYCAN LYA
Ref.: BULGECIN A: THE KEY TO A BROAD-SPECTRUM INHIBITOR T TARGETS LYTIC TRANSGLYCOSYLASES. ANTIBIOTICS V. 6 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BLG A:601;
Valid;
none;
submit data
552.551 C16 H30 N3 O14 S2 CC(=O...
MG A:602;
A:603;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
NHE A:604;
Invalid;
none;
submit data
207.29 C8 H17 N O3 S C1CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5O2N 1.51 Å EC: 4.2.2.- LYTIC TRANSGLYCOSYLASE IN ACTION NEISSERIA MENINGITIDIS LYTIC TRANSGLYCOSYLASES ACID/BASE CATALYSIS PEPTIDOGLYCANBACTERIA HYDROLASE
Ref.: A STEP-BY-STEPIN CRYSTALLOGUIDE TO BOND CLEAVAGE AN 1,6-ANHYDRO-SUGAR PRODUCT SYNTHESIS BY A PEPTIDOGLYCAN-DEGRADING LYTIC TRANSGLYCOSYLASE. J. BIOL. CHEM. V. 293 6000 2018
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5MPQ - BLG C16 H30 N3 O14 S2 CC(=O)N[C@....
2 5O2N - NAG C8 H15 N O6 CC(=O)N[C@....
3 5O1J - Z4S NAG NAG n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5MPQ - BLG C16 H30 N3 O14 S2 CC(=O)N[C@....
2 5O2N - NAG C8 H15 N O6 CC(=O)N[C@....
3 5O1J - Z4S NAG NAG n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5MPQ - BLG C16 H30 N3 O14 S2 CC(=O)N[C@....
2 5O2N - NAG C8 H15 N O6 CC(=O)N[C@....
3 5O1J - Z4S NAG NAG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BLG; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 BLG 1 1
2 BUL 0.618557 0.973684
3 ASG 0.425287 0.763158
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5O2N; Ligand: NAG NAG NDG NAG; Similar sites found with APoc: 39
This union binding pocket(no: 1) in the query (biounit: 5o2n.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5Z5I XYP 1.4733
2 1U6R ADP 2.10526
3 5FJJ MAN 2.11039
4 1IZC PYR 2.35988
5 4NTO 1PW 2.41546
6 4OLT GCS GCS GCS GCS GCS GCS 2.41935
7 3TDC 0EU 2.43507
8 3JQ3 ADP 2.73224
9 5GVR LMR 2.99145
10 2HHP FLC 3.01887
11 2DQA NAG NAG NAG 3.22581
12 2GZ3 NAP 3.27869
13 1MJT NAD 3.45821
14 5E5U MLI 4.0201
15 5AO7 NAG 4.04762
16 4DE3 DN8 4.18251
17 2BHW XAT 4.31034
18 2XQO CTR 4.52675
19 3B8I OXL 4.87805
20 6G1I BGC BGC BGC FRU 4.93274
21 4LSJ LSJ 5.03876
22 1Z0N BCD 5.20833
23 4DYG MES 5.32787
24 3W6C NAG NAG 5.46448
25 4YEE 4CQ 5.55556
26 5NM7 GLY 6.00649
27 4G6I RS3 6.66667
28 3K5I AIR 6.94789
29 1D0L BLG 7.14286
30 4WBD CIT 7.20887
31 5LD8 6U5 7.58621
32 1LZR NAG NAG NAG NAG 7.69231
33 2FKA BEF 11.6279
34 6CFC BLG 12.9771
35 1BB6 UMG 13.1783
36 154L NAG NAG NAG 17.8378
37 4YEF 4CQ 17.9775
38 5IDB BMA 19.7183
39 1LSZ NDG NAG NAG NAG 23.1293
Pocket No.: 2; Query (leader) PDB : 5O2N; Ligand: NAG; Similar sites found with APoc: 42
This union binding pocket(no: 2) in the query (biounit: 5o2n.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 5KK4 44E None
2 5Z5I XYP 1.4733
3 1U6R ADP 2.10526
4 5FJJ MAN 2.11039
5 1IZC PYR 2.35988
6 4NTO 1PW 2.41546
7 4OLT GCS GCS GCS GCS GCS GCS 2.41935
8 3R4S SIA 2.7088
9 3JQ3 ADP 2.73224
10 3CQL NDG 2.88066
11 3CQL NAG 2.88066
12 5GVR LMR 2.99145
13 4H0I MMA 3.18725
14 2DQA NAG NAG NAG 3.22581
15 3WH1 NAG NAG NAG NAG 3.39806
16 5E5U MLI 4.0201
17 5AO7 AH0 NAG 4.04762
18 5AO7 NAG 4.04762
19 2XQO CTR 4.52675
20 3B8I OXL 4.87805
21 4GLW NMN 4.91803
22 6G1I BGC BGC BGC FRU 4.93274
23 1Z0N BCD 5.20833
24 4DYG MES 5.32787
25 3W6C NAG NAG 5.46448
26 4YEE 4CQ 5.55556
27 5NM7 GLY 6.00649
28 1FAO 4IP 6.34921
29 3K5I AIR 6.94789
30 1D0L BLG 7.14286
31 4WBD CIT 7.20887
32 1LZR NAG NAG NAG NAG 7.69231
33 2BS5 BGC GAL FUC 8.88889
34 5XSW NAG NDG 10.0823
35 2GTF P1R 10.5556
36 2FKA BEF 11.6279
37 4CQK PIO 12.766
38 6CFC BLG 12.9771
39 154L NAG NAG NAG 17.8378
40 4YEF 4CQ 17.9775
41 5IDB BMA 19.7183
42 1LSZ NDG NAG NAG NAG 23.1293
Pocket No.: 3; Query (leader) PDB : 5O2N; Ligand: FLC; Similar sites found with APoc: 175
This union binding pocket(no: 3) in the query (biounit: 5o2n.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1GPJ CIT 1.23762
2 5EOB 5QQ 1.25392
3 2VBF TPP 1.40351
4 4XH4 ANP 1.44231
5 4XH4 PPI 1.44231
6 2VHW NAI 1.59151
7 2JB2 PHE 1.62338
8 5XVH NAP 1.63399
9 5W3Y ACO 1.70455
10 3JQB NAP 1.73611
11 5K6A NAP 1.73611
12 4CMI NAP 1.73611
13 5JCJ NAP 1.73611
14 3JQG NAP 1.73611
15 4CLR NAP 1.73611
16 5JDC NAP 1.73611
17 4CLO NAP 1.73611
18 3BMO NAP 1.73611
19 4IYO 0JO 1.78571
20 1N0U SO1 1.78571
21 1IYK MYA 1.78571
22 2VD9 EPC 1.79028
23 4CYI ATP 1.82648
24 2WD7 NAP 1.86567
25 1V8B NAD 1.87891
26 5TZJ UD1 1.90217
27 1SC6 NAD 1.9802
28 4PYW ACE THR THR ALA ILE NH2 1.9802
29 4R84 CSF 1.98807
30 6BSW CE6 2.07101
31 6BSW UDP 2.07101
32 3M6P BB2 2.07254
33 6BII NAP 2.1021
34 1E3I CXF 2.11039
35 1QRP HH0 2.14724
36 1N1D C2G 2.32558
37 3Q3C NAD 2.34114
38 5OJL TXP 2.34899
39 1U3U BNF 2.40642
40 1U3U NAD 2.40642
41 3QT6 2P0 2.40964
42 2FR1 NDP 2.43507
43 4D57 ARG AMP 2.44328
44 3ANP DAO 2.45098
45 5ZZO FLC 2.48756
46 1I7L ATP 2.589
47 3I6I NDP 2.60116
48 3FXU TSU 2.62295
49 2OKL BB2 2.7027
50 1QPR PPC 2.8169
51 5LQ8 GB 2.83688
52 5MM0 GDD 2.94118
53 1SMR PIV HIS PRO PHE HIS LPL TYR TYR SER 2.98507
54 5WQP NAP 2.99145
55 5YIC 8VO 3.04878
56 1HK8 DGT 3.1405
57 4H0I MMA 3.18725
58 1S17 GNR 3.33333
59 2X24 X24 3.40909
60 3NYC IAR 3.41207
61 3NYC FAD 3.41207
62 1SQF SAM 3.4965
63 1P1C SAH 3.51759
64 4Y9J UCC 3.54132
65 1X87 NAD 3.57143
66 4RD0 GDP 3.61446
67 1QS8 IVA VAL VAL STA ALA STA 3.64742
68 5GM1 SAH 3.7037
69 3TE4 ACO 3.72093
70 1D1T NAD 3.75335
71 5OCM NAP 3.78007
72 2CVZ NDP 3.80623
73 5O9X G16 3.82514
74 3WDM ADN 3.83142
75 2AE2 NAP 3.84615
76 2AE2 PTO 3.84615
77 4ZCC FAD 3.86905
78 4ZCC NAI 3.86905
79 4D3F NAP 3.87097
80 2WSA 646 3.88128
81 2WSA MYA 3.88128
82 1L7E NAI 3.90625
83 4UWJ MYA 3.9312
84 4UWJ 7L5 3.9312
85 1VI2 NAD 4
86 6GCB GSH 4
87 5YFT RI2 4.01235
88 2GQT FAD 4.10448
89 1WP4 NDP 4.15225
90 1NPD NAD 4.16667
91 4RDH AMP 4.16667
92 2J9D ADP 4.20168
93 4F07 FAD 4.21053
94 3ZLB ANP 4.27136
95 1V3S ATP 4.31034
96 5EB4 FAD 4.32331
97 4D79 ATP 4.34783
98 1NT4 G1P 4.34783
99 4B8V NDG NAG NAG NAG 4.38596
100 5IKI A9H 4.39024
101 2GNK ATP 4.46429
102 3HQP FDP 4.54545
103 5XWC 8GL 4.56522
104 5XWC NAP 4.56522
105 5XWC 2IT 4.56522
106 1ORR NAD 4.61095
107 1E5Q NDP 4.66667
108 5ZCM NDP DTT 4.69208
109 1FMB HYB 4.80769
110 5Y4R C2E 4.82759
111 1U1B PAX 4.83871
112 4POW OP1 4.90566
113 3CIF G3H 5.01393
114 4G8R 96P 5.05319
115 1RL4 BRR 5.31915
116 1CDO NAD 5.34759
117 4C2X NHW 5.36585
118 2OAZ I96 5.42005
119 4IP7 FBP 5.52486
120 3IA4 NDP 5.55556
121 3TDH AMP 5.58659
122 6C7Y ADP 5.59441
123 4DR9 BB2 5.72917
124 6GAR FAD 5.73066
125 4W6Z 8ID 5.76369
126 4USI ATP 5.84416
127 3G5K BB2 6.01093
128 3S43 478 6.06061
129 5FAG PPI 6.09756
130 2QTV GNP 6.12245
131 3ICT COA 6.16883
132 3BXF 13P 6.27451
133 3CB0 FMN 6.35838
134 2VVT I24 6.55172
135 4WJT NAG 6.58683
136 4CE5 PDG 6.60661
137 1SAY PYR 6.6482
138 4G6I RS3 6.66667
139 4M73 M72 6.82493
140 4M73 SAH 6.82493
141 2GN4 UD1 6.97674
142 3CH6 311 6.99301
143 3CH6 NAP 6.99301
144 4NJS G08 7.07071
145 2W9S NDP 7.45342
146 2AKO ADP 7.56972
147 4QBK 3NZ 7.73196
148 4CZG QH3 7.75862
149 4CZG ADP 7.75862
150 3ZOD FMN 7.8534
151 3ZOD HQE 7.8534
152 3GGO NAI 7.96178
153 5HW4 SAM 8.06452
154 1BAI 0Q4 8.06452
155 5H86 BCO 8.33333
156 5W3X ACO 8.75
157 2YNC YNC 8.85417
158 2YNE NHW 8.85417
159 2YNE YNE 8.85417
160 1FQ5 0GM 9.72644
161 4OZJ ADP 9.79021
162 1NV8 SAM 10.2113
163 4UAI 3GG 10.2941
164 1QAN SAH 10.6557
165 3K87 FAD 10.8108
166 5KBZ 3B2 10.8753
167 4RRG A3T 11.3475
168 1MVN PCO 11.4833
169 4ZFL 4NK 11.9658
170 1QSR ACO 14.8148
171 3SFI 3SF 14.8305
172 3GUZ PAF 15.3409
173 1QAW TRP 16.2162
174 1LAF ARG 17.2269
175 4MN3 ACE PHE ALA TYR M3L SER NH2 23.2143
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