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Receptor
PDB id Resolution Class Description Source Keywords
1OW4 1.6 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF A PHEROMONE BINDING PROTEIN FROM THE CO LEUCOPHAEA MADERAE IN COMPLEX WITH THE FLUORESCENT REPORTERA NILINONAPHTALENE-8-SULFONIC ACID), PHEROMONE BINDING PROTEIN LEUCOPHAEA MADERAE
Ref.: THE CRYSTAL STRUCTURE OF A COCKROACH PHEROMONE-BIND PROTEIN SUGGESTS A NEW LIGAND BINDING AND RELEASE M J.BIOL.CHEM. V. 278 30213 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2AN A:1004;
B:1003;
Valid;
Valid;
none;
none;
Kd = 2.1 uM
299.344 C16 H13 N O3 S c1ccc...
GOL A:1002;
B:1001;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OW4 1.6 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF A PHEROMONE BINDING PROTEIN FROM THE CO LEUCOPHAEA MADERAE IN COMPLEX WITH THE FLUORESCENT REPORTERA NILINONAPHTALENE-8-SULFONIC ACID), PHEROMONE BINDING PROTEIN LEUCOPHAEA MADERAE
Ref.: THE CRYSTAL STRUCTURE OF A COCKROACH PHEROMONE-BIND PROTEIN SUGGESTS A NEW LIGAND BINDING AND RELEASE M J.BIOL.CHEM. V. 278 30213 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1P28 Kd = 3.8 uM HBR C4 H8 O2 C[C@H](C(=....
2 1OW4 Kd = 2.1 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 1P28 Kd = 3.8 uM HBR C4 H8 O2 C[C@H](C(=....
2 1OW4 Kd = 2.1 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 1P28 Kd = 3.8 uM HBR C4 H8 O2 C[C@H](C(=....
2 1OW4 Kd = 2.1 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2AN; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 2AN 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1OW4; Ligand: 2AN; Similar sites found with APoc: 110
This union binding pocket(no: 1) in the query (biounit: 1ow4.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3OGN 3OG None
2 3E8T UQ8 None
3 5Y02 HBX None
4 3IPQ 965 None
5 1QV1 CZH None
6 3L0E G58 None
7 1UHK CZN None
8 5Y02 MXN None
9 4C0R GDS None
10 4INB 1F6 None
11 2WSB NAD None
12 5KAU RHQ 1.55039
13 4REF 3N0 1.55039
14 5HZ9 5M8 1.55039
15 5YAS FAC 2.32558
16 2ZCQ B65 2.32558
17 1G2N EPH 2.32558
18 2GTE VA 2.41935
19 2WCJ M21 3.10078
20 4LA7 A1O 3.10078
21 5UWA 8ND 3.10078
22 2VQ5 HBA 3.10078
23 5JNN 6LM 3.10078
24 4HXY ACA 3.42466
25 4NG2 OHN 3.53982
26 6C7D EOJ 3.87597
27 6C1R EFD 3.87597
28 3LSJ COA PLM 3.87597
29 5HCY 60D 3.87597
30 3LSJ PLM COA 3.87597
31 4DXJ IPE 3.87597
32 4IAE 1DX 3.87597
33 1Z4O GL1 4.65116
34 4OMJ 2TX 4.65116
35 1OLM VTQ 4.65116
36 3TGE TGE 4.65116
37 5W7B MYR 4.65116
38 5K7K 6RJ 4.65116
39 3G3N TC8 4.65116
40 4WAS COO 5.42636
41 3V66 D3A 5.42636
42 5E58 CPZ 5.42636
43 6FS0 E4W 5.42636
44 4E13 NAD 5.42636
45 4B2Z P5S 5.42636
46 1SO2 666 5.42636
47 3QP8 HL0 6.20155
48 1SR7 MOF 6.20155
49 1W3R PYR 6.20155
50 4DHY S41 6.20155
51 2NVA PL2 6.20155
52 2C0U FAD NBT 6.20155
53 6AP8 BNY 6.20155
54 5N18 8HZ 6.42202
55 2A1L PCW 6.97674
56 4V24 GYR 6.97674
57 5AAV GW5 7.75194
58 2QE4 JJ3 7.75194
59 3FAL LO2 7.75194
60 4YZC STU 7.75194
61 3HUJ AGH 7.75194
62 1GJW GLC 7.75194
63 5N7O 69Y 7.75194
64 3CY2 MB9 7.75194
65 1PZX PLM 7.75194
66 5APK 76E 7.75194
67 4OKZ 3E9 8.52713
68 5BYK A3P 8.52713
69 5BYK OAQ 8.52713
70 4D4U FUC NDG GAL FUC 8.52713
71 3NW7 LGV 8.52713
72 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 8.52713
73 4PYW ACE THR THR ALA ILE NH2 8.52713
74 2ZJ1 ARJ 8.52713
75 2ZJ1 NAD 8.52713
76 1YKD CMP 8.52713
77 4R5Z PMP 8.52713
78 1OGZ EQU 8.8
79 4OB6 S2T 9.30233
80 1JNR FAD 9.30233
81 5C1M OLC 9.30233
82 4NNB OAA 9.30233
83 1ZGA HMK 9.30233
84 3VZS NAP 9.30233
85 5N87 N66 9.30233
86 5OC1 ANN 10.0775
87 3G08 FEE 10.8527
88 3RUG DB6 10.8527
89 1UDY CS8 11.6279
90 3WFD AXO 11.6279
91 3KPX CZH 11.6279
92 3RMK BML 12.0482
93 2OZ5 7XY 12.4031
94 3A7R LAQ 12.4031
95 1XPM HMG 13.1783
96 3GWT 066 13.1783
97 1XPM CAA 13.1783
98 2QYK NPV 13.1783
99 1UU1 PMP HSA 13.9535
100 3P5P A3C 14.7287
101 3OJI PYV 15.5039
102 2F7A BEZ 17.0543
103 5EK3 5PK 20.155
104 5Z84 CHD 20.1835
105 5ZCO CHD 20.1835
106 2YOO K2B 24.031
107 4NRT 2NG 25.5814
108 5K13 6Q7 25.5814
109 3D78 NBB 33.6134
110 3R1V AZB 37.7953
Pocket No.: 2; Query (leader) PDB : 1OW4; Ligand: 2AN; Similar sites found with APoc: 177
This union binding pocket(no: 2) in the query (biounit: 1ow4.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1DTL BEP None
2 1UO5 PIH None
3 3KP6 SAL None
4 1TMX HGX None
5 6D6L FY4 None
6 2ALG DAO None
7 2YLD CMO None
8 1YOK P6L None
9 1ZEI CRS None
10 3E70 GDP None
11 4WG0 CHD None
12 6DXL HG4 None
13 3HB5 E2B None
14 5UC4 83S None
15 5CXI 5TW None
16 5CSD ACD None
17 3P0K FAD 1.55039
18 5NTP 98E 2.32558
19 2R40 EPH 2.32558
20 3E85 BSU 2.32558
21 4WPF 3SN 2.32558
22 6F1J EDG 2.32558
23 4N2R AHR 3.10078
24 3STD MQ0 3.10078
25 4WVO 3UZ 3.10078
26 4QM9 CYS 3.10078
27 2GWH PCI 3.87597
28 5LOF 70R 3.87597
29 4F7E 0SH 3.87597
30 1YP0 PEF 3.87597
31 4RPL 3UC 3.87597
32 1YMT DR9 3.87597
33 4RPL FAD 3.87597
34 3PE2 E1B 3.87597
35 4XNV BUR 3.87597
36 3Q8G PEE 3.87597
37 4E70 N7I 3.87597
38 5C9J STE 3.87597
39 2RHW C0E 3.87597
40 4QEK GLC 3.87597
41 5V8E CIT 3.87597
42 2ZPT A3P 4.65116
43 3D04 SAK 4.65116
44 1PZO CBT 4.65116
45 2XCG XCG 4.65116
46 2BHZ MAL 4.65116
47 3SHZ 5CO 4.65116
48 3BJC WAN 4.65116
49 1FP2 HMO 4.65116
50 1NRL SRL 4.65116
51 2EV1 OLA 4.65116
52 2AQX ATP 4.65116
53 5B25 4QJ 4.65116
54 1E2K TMC 4.65116
55 5CHR 4NC 4.65116
56 3TFC PEP 4.65116
57 2FV5 541 4.65116
58 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 4.7619
59 3O01 DXC 5.42636
60 1R6N 434 5.42636
61 4WAS NAP 5.42636
62 3ABA FLI 5.42636
63 5IF4 6AK 5.42636
64 5C2H 4PX 5.42636
65 5N26 CPT 5.42636
66 1FP1 HCC 5.42636
67 5CX6 CDP 5.42636
68 1VR0 3SL 5.42636
69 3EM0 CHD 5.42636
70 4YSX E23 5.42636
71 1HG4 LPP 5.42636
72 1ZDT PEF 5.42636
73 4W4S B29 5.42636
74 5C2H 4XU 5.42636
75 3HDY FDA 6.20155
76 3HDY GDU 6.20155
77 5LWY OLB 6.20155
78 2XXP DSL 6.20155
79 5F1R 42O 6.20155
80 5EEH P9P 6.20155
81 1N62 MCN 6.20155
82 3HDY FAD 6.20155
83 5LX9 OLB 6.20155
84 5G57 6M5 6.20155
85 4WHZ 3NL 6.20155
86 2AX9 BHM 6.20155
87 5MW4 5JU 6.20155
88 3V49 PK0 6.20155
89 6BR8 PGV 6.20155
90 3GST GPR 6.20155
91 1ODM ASV 6.20155
92 5AZC PGT 6.20155
93 1JQD HSM 6.20155
94 5TVI MYR 6.52174
95 1T27 PCW 6.97674
96 1EM6 CP4 6.97674
97 1W96 S1A 6.97674
98 3WIR BGC 6.97674
99 2X34 UQ8 6.97674
100 5MWE TCE 7.40741
101 5NM7 GLY 7.75194
102 4MGA 27L 7.75194
103 3W5N RAM 7.75194
104 5ICE 2H4 7.75194
105 2X32 OTP 7.75194
106 4MG9 27K 7.75194
107 1D6H COA 7.75194
108 3SFI 3SF 7.75194
109 4MGB XDH 7.75194
110 4N6H EJ4 7.75194
111 1JF0 CZH 7.75194
112 2BJ4 OHT 7.75194
113 4V3I ASP LEU THR ARG PRO 7.75194
114 2QZO KN1 7.75194
115 1BWO LPC 7.77778
116 4Q0A 4OA 8.52713
117 1RQJ RIS 8.52713
118 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 8.52713
119 4G31 0WH 8.52713
120 6FX0 E9T 8.52713
121 1T0S BML 8.52713
122 1DMH LIO 8.52713
123 4D52 GIV 8.52713
124 3OKI OKI 8.52713
125 2HJR APR 8.52713
126 4C1K PEP 8.52713
127 1Q19 SSC 8.52713
128 3ET1 ET1 9.30233
129 3V1S 0LH 9.30233
130 3VZS CAA 9.30233
131 6EQ8 BQZ 9.30233
132 5OSW DIU 9.30233
133 1Y0G 8PP 9.30233
134 4DM8 REA 9.30233
135 1TW4 CHD 9.6
136 4BNU 9KQ 10.0775
137 1JGS SAL 10.0775
138 5ISZ GLY ILE LEU GLY PHE VAL PHE THR LEU 10.0775
139 4DSG UDP 10.0775
140 4DSG FAD 10.0775
141 4URX FK1 10.0775
142 1EWF PC1 10.0775
143 5N69 2OW 10.0775
144 5XJD 87L 10.0775
145 4MNS 2AX 10.8527
146 2P4Y C03 11.6279
147 5HCN DAO 11.6279
148 2CIX CEJ 11.6279
149 4KBS PX2 11.6279
150 3ET3 ET1 11.6279
151 1FM9 570 11.6279
152 3QP4 HL0 11.6279
153 5FH7 5XL 12.0968
154 1WUB OTP 12.4031
155 5L13 6ZE 13.1783
156 1GUZ NAD 13.1783
157 1MID LAP 13.1868
158 5IXG OTP 14.7287
159 1ZOY UQ1 15.5039
160 5BVE 4VG 15.5039
161 1LN1 DLP 15.5039
162 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 16.2791
163 5UV1 0FV 17.0543
164 3G4G D71 17.8295
165 4J26 EST 17.8295
166 4J24 EST 17.8295
167 2I0G I0G 17.8295
168 1U3R 338 17.8295
169 2YJD YJD 17.8295
170 5A0U CHT 17.8295
171 2Y69 CHD 20
172 2OBD 2OB 20.155
173 5W97 CHD 20.1835
174 2Q8G AZX 23.2558
175 5OLK DTP 24.8062
176 1RZM PEP 24.8062
177 4WGF HX2 37.2093
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