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Receptor
PDB id Resolution Class Description Source Keywords
3LTW 2.1 Å EC: 2.3.1.5 THE STRUCTURE OF MYCOBACTERIUM MARINUM ARYLAMINE N-ACETYLTRA IN COMPLEX WITH HYDRALAZINE MYCOBACTERIUM MARINUM MYCOBACTERIUM MARINUM ARYALMINE N-ACETYL TRANSFERASE MMNATHYDRALAZINE MYCOBACTERIUM TUBERCULOSIS TRANSFERASE
Ref.: PROBING THE ARCHITECTURE OF THE MYCOBACTERIUM MARIN ARYLAMINE N-ACETYLTRANSFERASE ACTIVE SITE PROTEIN CELL V. 1 384 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMT A:281;
A:282;
A:999;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
46.025 C H2 O2 C(=O)...
HLZ A:300;
A:302;
Valid;
Valid;
none;
none;
submit data
160.176 C8 H8 N4 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LTW 2.1 Å EC: 2.3.1.5 THE STRUCTURE OF MYCOBACTERIUM MARINUM ARYLAMINE N-ACETYLTRA IN COMPLEX WITH HYDRALAZINE MYCOBACTERIUM MARINUM MYCOBACTERIUM MARINUM ARYALMINE N-ACETYL TRANSFERASE MMNATHYDRALAZINE MYCOBACTERIUM TUBERCULOSIS TRANSFERASE
Ref.: PROBING THE ARCHITECTURE OF THE MYCOBACTERIUM MARIN ARYLAMINE N-ACETYLTRANSFERASE ACTIVE SITE PROTEIN CELL V. 1 384 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3LTW - HLZ C8 H8 N4 c1ccc2c(c1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3LTW - HLZ C8 H8 N4 c1ccc2c(c1....
2 1W6F - ISZ C6 H5 N3 O [H]/N=N/C(....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4NV7 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 3LTW - HLZ C8 H8 N4 c1ccc2c(c1....
3 1W6F - ISZ C6 H5 N3 O [H]/N=N/C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HLZ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 HLZ 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LTW; Ligand: HLZ; Similar sites found with APoc: 173
This union binding pocket(no: 1) in the query (biounit: 3ltw.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5C8W PCG None
2 1UPF URF None
3 1WUW TSU None
4 2C29 NAP 1.78571
5 5T8O 76Z 1.78571
6 1OJ4 ANP 1.78571
7 3AL3 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 2.12766
8 2X7J TPP 2.14286
9 1MDB AMP DBH 2.14286
10 5NDF LU2 2.14286
11 3T7S SAM 2.23881
12 2A9W GA9 2.27273
13 3KCC CMP 2.30769
14 4QYS PLP SEP 2.5
15 2O07 MTA 2.5
16 4OXI GAP 2.5
17 2RAB FAD 2.5
18 2O07 SPD 2.5
19 2OBF SAH 2.5
20 5GQX GLC GLC GLC GLC GLC GLC GLC 2.5
21 2X61 CH 2.71318
22 2X61 NGA GAL SIA 2.71318
23 6CUZ FEV 2.85714
24 2Y4O DLL 2.85714
25 4X7R UDP 2.85714
26 5M3Z PY6 2.85714
27 5M3Z PLP 2.85714
28 5M67 3D1 2.85714
29 5M67 NAD 2.85714
30 5M3Z NLE 2.85714
31 1G51 AMO 2.85714
32 4E1O PLP PVH 2.85714
33 5MPT SAH 2.85714
34 4LXQ TYD 2.91971
35 4LXQ FON 2.91971
36 2JCB ADP 3
37 1Z3C SA8 3.21429
38 3SIX GDP 3.21429
39 4GN8 ASO 3.21429
40 5WM2 AMP 3.21429
41 4O1M NAD 3.21429
42 5WM2 SAL 3.21429
43 3TE4 ACO 3.25581
44 1GXU 2HP 3.2967
45 2A14 SAH 3.42205
46 2FCR FMN 3.46821
47 4GO7 THR 3.5
48 6C8R EQV 3.57143
49 4D9M 0JO 3.57143
50 4HDK 13X 3.57143
51 3O8M GLC 3.57143
52 3O8M BGC 3.57143
53 5L3S GNP 3.57143
54 6C8R SAH 3.57143
55 2F59 INI 3.82166
56 2WC1 FMN 3.84615
57 5AB7 MLC 3.92857
58 4WAS NAP 3.92857
59 4WAS COO 3.92857
60 4AVB ACO 3.92857
61 1T9D FAD 3.92857
62 1V25 ANP 3.92857
63 5ZEC NAP 3.92857
64 4R1S NAP 3.92857
65 3A06 NDP 3.92857
66 2R42 FPS 3.92857
67 3X0Y FMN 3.92857
68 6B5K TYD 3.92857
69 5WKC FAD 3.92857
70 2B4B COA 4.09357
71 2B4D COA 4.09357
72 1OBV FMN 4.14201
73 3ITJ FAD 4.14201
74 5OJI ISN 4.23077
75 5OJI NAP 4.23077
76 5UQW GDP 4.2328
77 3B20 NAD 4.28571
78 4KRG SAH 4.28571
79 2OG2 MLI 4.28571
80 4I42 1HA 4.64286
81 4HE2 AMP 4.64286
82 5CJH 522 4.64286
83 1CZR FMN 4.73373
84 2XHK AKG 4.95496
85 2WSB NAD 5
86 6FL8 TIY 5
87 6FL8 ADP 5
88 4R5M NAP 5
89 3EJR HN4 5
90 1E5F PLP 5
91 3HNC TTP 5
92 5WUW NAP 5
93 2ZFU SAH 5.11628
94 2IXE ATP 5.16605
95 4OPC FDA 5.35714
96 6H3O FAD 5.35714
97 1V8B NAD 5.35714
98 1LQA NDP 5.35714
99 2EFJ SAH 5.35714
100 4WOE ADP 5.35714
101 5DEX 5E0 5.35714
102 3QWI CUE 5.55556
103 3QWI NAP 5.55556
104 5ESO TDP 5.57491
105 5ESO ISC 5.57491
106 4YRY NAD 5.71429
107 5THZ SAH 5.71429
108 4WNK 453 5.71429
109 5AXH GLC GLC GLC GLC 5.71429
110 4BMO FMN 5.88235
111 5FVJ ACO 6.0241
112 1G94 DAF GLC DAF GLC GLC 6.07143
113 4D86 ADP 6.42857
114 3NJ4 NAD 6.42857
115 4RIF 3R2 6.42857
116 1V7C HEY 6.42857
117 2PIA FMN 6.78571
118 4IYO 0JO 6.78571
119 4IY7 0JO 6.78571
120 4IY7 KOU 6.78571
121 2YGM GLA NAG GAL FUC 6.78571
122 5KMS FAD 6.78571
123 4PIV NDP 6.78571
124 5ZGI SIN 7.02479
125 3E1T FAD 7.14286
126 1N62 MCN 7.22892
127 5BO9 CSF 7.43034
128 5BO9 SIA GAL NGS 7.43034
129 1AKV FMN 7.48299
130 2I7N ACO 7.5
131 4Z87 GDP 7.5
132 6CI9 NAP 7.72201
133 6GAQ FMN 7.79221
134 1CER NAD 7.85714
135 1TMX HGX 7.85714
136 1M4I PAP 8.28729
137 1M4I KAN 8.28729
138 1M4I COA 8.28729
139 2RH4 EMO 8.66426
140 3H86 AP5 8.85417
141 3O5N BR0 8.92857
142 3TKY SAH 8.92857
143 1U3G THF 8.99471
144 1ZQ9 SAM 9.28571
145 1RM6 PCD 9.31677
146 5XVH NAP 9.64286
147 4RFM 3P6 10.1504
148 3HY3 10F 10.3448
149 3VC3 C6P 10.7143
150 1XNG DND 10.7143
151 5SYM 71Q 10.8696
152 1D1T NAD 11.0714
153 4ZSI GLP 11.1111
154 4ZSI 4R1 11.1111
155 4XXH T6P 11.3725
156 2DT9 THR 11.976
157 5KVA SAM 12.2302
158 5NUL FMN 12.3188
159 2DTJ THR 12.9213
160 3AB4 THR 12.9213
161 1XCL SAH 13.617
162 1FK8 NAD 14.3969
163 1I2B UPG 14.6429
164 1I2B NAD 14.6429
165 1I2B USQ 14.6429
166 3T1A 5MA 15
167 1Q3P GLU ALA GLN THR ARG LEU 15.5963
168 6F7L FAD 16.4286
169 3KOX Z98 17.3554
170 5ZCO TGL 21.2766
171 2DYS TGL 21.2766
172 5Z84 TGL 21.2766
173 2DYR TGL 21.2766
Pocket No.: 2; Query (leader) PDB : 3LTW; Ligand: HLZ; Similar sites found with APoc: 60
This union binding pocket(no: 2) in the query (biounit: 3ltw.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4CNE SAH 1.49813
2 4D57 ARG AMP 2.14286
3 2WET FAD 2.5
4 4B2Z P5S 2.85714
5 4CNG SAH 3.13725
6 5DWQ SFG 3.21429
7 3H4V NAP 3.21429
8 3H4V DVP 3.21429
9 1D2N ANP 3.21429
10 1UKZ AMP 3.44828
11 1UKZ ADP 3.44828
12 5HC8 ISY 3.44828
13 5HC8 PIS 3.44828
14 5HC8 61G 3.44828
15 2P8O BVA 3.81679
16 4B0T ADP 3.92857
17 1PQ7 ARG 4.01786
18 1PI5 SM2 4.28571
19 1MXH DHF 4.34783
20 1MXH NAP 4.34783
21 4POO SAM 4.5
22 1Z83 AP5 4.59184
23 5OCM NAP 4.64286
24 1UM0 FMN 4.64286
25 1PZ1 NAP 4.64286
26 2QHS OCA 5
27 1T90 NAD 5
28 5CLO NS8 5.08475
29 1JG3 ADN 5.10638
30 5F7R GLC GLC 5.35714
31 2CDN ADP 5.47264
32 4BG4 ADP 5.71429
33 4RF7 ARG 5.71429
34 1VCE SAH 6.03774
35 1WNG SAH 6.03774
36 3CRZ FAD 6.22568
37 4OHU NAD 6.42857
38 4OHU 2TK 6.42857
39 5XDT ZI7 6.42857
40 2QHV OC9 6.66667
41 4K2G 1OQ 6.78571
42 4XMF HSM 7.06522
43 5UAO FAD 7.14286
44 2BJU IH4 7.5
45 1EQ2 NAP 7.5
46 2GQS C2R 7.59494
47 6GMN F4E 8.02469
48 2E0N SAH 8.49421
49 1M15 ADP 8.92857
50 1M15 ARG 8.92857
51 3L5R 47X 9.01639
52 5VL2 9EG 9.09091
53 3O9L LPN 11.3636
54 3AB4 LYS 12.9213
55 6H39 FGY 13.0952
56 3JQ3 ADP 14.2857
57 4CLO NAP 14.5833
58 3JQG NAP 14.5833
59 1KGI T4A 18.8976
60 3RMK BML 36.1446
Pocket No.: 3; Query (leader) PDB : 3LTW; Ligand: HLZ; Similar sites found with APoc: 10
This union binding pocket(no: 3) in the query (biounit: 3ltw.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5NDF UDP 2.14286
2 5T2U NAP 3.22581
3 1RP0 AHZ 3.57143
4 2A2C ADP 3.92857
5 2A2C NG1 3.92857
6 1I1D COA 4.96894
7 4YEE 4CQ 5.55556
8 3GZ8 APR 6.17284
9 4V24 GYR 6.42857
10 3WIR BGC 6.78571
Pocket No.: 4; Query (leader) PDB : 3LTW; Ligand: HLZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3ltw.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3LTW; Ligand: HLZ; Similar sites found with APoc: 4
This union binding pocket(no: 5) in the query (biounit: 3ltw.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5O96 SAM 2.04082
2 1KRH FAD 2.14286
3 1HTW ADP 3.16456
4 5DQ8 FLF 6.66667
Pocket No.: 6; Query (leader) PDB : 3LTW; Ligand: HLZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3ltw.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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