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Receptor
PDB id Resolution Class Description Source Keywords
2XRH 1.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE TRUNCATED FORM OF HP0721 HELICOBACTER PYLORI UNKNOWN FUNCTION
Ref.: CRYSTAL STRUCTURE OF HP0721, A NOVEL SECRETED PROTE HELICOBACTER PYLORI. PROTEINS V. 79 1678 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NIO A:200;
Valid;
none;
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123.109 C6 H5 N O2 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XRH 1.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE TRUNCATED FORM OF HP0721 HELICOBACTER PYLORI UNKNOWN FUNCTION
Ref.: CRYSTAL STRUCTURE OF HP0721, A NOVEL SECRETED PROTE HELICOBACTER PYLORI. PROTEINS V. 79 1678 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2XRH - NIO C6 H5 N O2 c1cc(cnc1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 2XRH - NIO C6 H5 N O2 c1cc(cnc1)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 2XRH - NIO C6 H5 N O2 c1cc(cnc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NIO; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 NIO 1 1
2 5F8 0.487805 0.789474
3 BEZ 0.433333 0.625
4 5HN 0.428571 0.695652
5 61O 0.418605 0.714286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XRH; Ligand: NIO; Similar sites found with APoc: 189
This union binding pocket(no: 1) in the query (biounit: 2xrh.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3TKY SAH None
2 6BTQ E8S None
3 5MT9 SRO None
4 4GJ3 0XP None
5 4NES UDP None
6 5XJ8 NKO None
7 6CHP F0Y None
8 5AAV GW5 None
9 2BJ4 OHT None
10 5XJ7 87O None
11 1OE0 TTP None
12 2YPO PHE None
13 1OQC FAD None
14 2R5T ANP None
15 2FP2 TSA None
16 1TF9 PHI None
17 5CYV WCA None
18 4JEM C5P None
19 3MBG FAD None
20 1GAD NAD None
21 3E7O 35F None
22 5KHD C2E None
23 1TD2 PXL None
24 1ELW GLY PRO THR ILE GLU GLU VAL ASP None
25 4WUJ FMN None
26 3K9W 4PS 2
27 3K9W ADE 2
28 6GKV SAH 2
29 3GE7 AFQ 2
30 5ZBL AMP 2
31 5LX9 OLB 2
32 4BNU 9KQ 3
33 1SBR VIB 3
34 4M73 SAH 3
35 4M73 M72 3
36 1UKZ AMP 3
37 2ZFU SAH 3
38 3FQ8 PMP 3
39 5TIV A3P 4
40 1V0O INR 4
41 3X1M COA 4
42 3QLM PLM 4
43 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 4
44 4D86 ADP 4
45 1RM4 NDP 4
46 5K53 STE 4
47 1GHE ACO 4
48 1SR7 MOF 5
49 4CDN FAD 5
50 4CDN FO1 5
51 2AX9 BHM 5
52 6D5L FW7 5
53 3JDW ORN 5
54 3EBL GA4 5
55 2VYN NAD 5
56 2OHV NHL 5
57 6D59 FVJ 5
58 6D5J FV4 5
59 6D5E FVG 5
60 2B9J ADP 6
61 5DRB 5FJ 6
62 2D3M COA 6
63 3KJS NAP 6
64 3KJS DQ1 6
65 5ZKC 3C0 6
66 4KRI SAH 6
67 1EGD FAD 6
68 5UR0 NAD 6
69 3LCV SAM 6.04982
70 4B98 PXG 7
71 6ECT SAM 7
72 2IMF TOM 7
73 2IMF GSH 7
74 3P7N FMN 7
75 1PZX PLM 7
76 5KGS 6SR 7
77 1XV5 UDP 7
78 3RY9 1CA 7
79 1LYX PGA 7
80 5YPU ATP 7
81 3MN7 ATP 7
82 6E2O S0L 8
83 5W8Q BU4 8
84 4E93 GUI 8
85 3GC8 B45 8
86 4Z87 5GP 8
87 5LGA 6VH 8
88 3F7Z 34O 8
89 5ZI2 NAD 8
90 6GUE FB8 9
91 2AJ4 GLA 9
92 3AWJ COA 9
93 5N9T 8QQ 9
94 6GBC AMP 9
95 3EWP APR 9
96 4BCN T9N 9
97 4B7S QLE 9
98 1E6E FAD 9
99 4GKV NAD 9
100 1VG0 GER 9
101 3A6T 8OG 9
102 5GM1 SAH 9
103 6GNF QPS 9
104 5MZI FYK 10
105 1J3I WRA 10
106 5MZI FAD 10
107 3LN0 52B 10
108 3KH5 AMP 10
109 5T8O 76Z 10
110 4NKW PLO 10
111 2YNC YNC 10
112 1U25 IHS 10
113 1PVN MZP 10
114 2HFP NSI 10
115 5ENZ UDP 10
116 1U7Z PMT 10
117 4OB6 S2T 10
118 4NEC SAH 10
119 3VRV YSD 11
120 5WP5 SAH 11
121 1JR8 FAD 11
122 3ND6 ATP 11
123 2ZSH GA3 11
124 4EIL FOL 11
125 5F8F SFG 11
126 2ZCQ B65 12
127 5NI5 8YB 12
128 1XVB BHL 12
129 6ESN BWE 12
130 6C7D EOJ 12
131 3BQD DAY 12
132 2HJR APR 12
133 3FHR P4O 12
134 5G5W R8C 12
135 3G4Q MCH 12
136 4NW6 2NS 13
137 3KV8 FAH 13
138 5KOR GDP 13
139 2ZWA SAH 13
140 1LVK MNT BEF 13
141 4R3U 3HC 13
142 4R3U 3KK 13
143 3QWB NDP 14
144 1RJD SAM 14
145 2EFJ SAH 14
146 6C5B SAH 15
147 5UR1 YY9 15
148 4H07 IPH 15
149 4NAT 2W5 15
150 1E8G FAD 15
151 4B7X NAP 16
152 4P4T GDP 16
153 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 16
154 5G09 6DF 16
155 3ZPG 5GP 16
156 2FLI DX5 16
157 3ETG GWD 17
158 5WP4 SAH 17
159 4KVL PLM 17
160 3TPV ADE 17
161 5OCA 9QZ 18
162 5BQI 4UL 18
163 5BQI GSH 18
164 3O9L LPN 18
165 3PVW QRX 18
166 5K52 OCD 19
167 2GU8 796 19
168 2WUF KEM 19
169 6CMJ F6J 20
170 3WQM B29 20
171 1XF1 CIT 21
172 2Y69 CHD 22.2222
173 3GST GPR 23
174 2GRU NAD 23
175 5B0I BOG 23
176 1XJD STU 24
177 4XVX P33 FDA 24
178 1D6H COA 25
179 2DYS PGV 27.6596
180 2DYR PGV 27.6596
181 5Z84 CHD 27.6596
182 5ZCO PGV 27.6596
183 5Z84 PGV 27.6596
184 5ZCO CHD 27.6596
185 5W97 CHD 27.6596
186 5Z84 TGL 27.6596
187 5LOF 70R 31
188 4WPF 3SN 36.3636
189 1EE0 CAA 38
Pocket No.: 2; Query (leader) PDB : 2XRH; Ligand: NIO; 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: 2xrh.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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