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Receptor
PDB id Resolution Class Description Source Keywords
1TUK 1.12 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF LIGANDED TYPE 2 NON SPECIFIC LIPID TRAN PROTEIN FROM WHEAT TRITICUM AESTIVUM NS-LTP2 LIPID TRANSFER PROTEIN LIPID TRANSPORT
Ref.: STRUCTURE OF A LIGANDED TYPE 2 NON-SPECIFIC LIPID-T PROTEIN FROM WHEAT AND THE MOLECULAR BASIS OF LIPID ACTA CRYSTALLOGR.,SECT.D V. 61 397 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IOD A:101;
A:102;
Invalid;
Invalid;
none;
none;
submit data
126.904 I [I-]
PGM A:103;
A:104;
Valid;
Valid;
none;
none;
submit data
483.553 C22 H44 O9 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1TUK 1.12 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF LIGANDED TYPE 2 NON SPECIFIC LIPID TRAN PROTEIN FROM WHEAT TRITICUM AESTIVUM NS-LTP2 LIPID TRANSFER PROTEIN LIPID TRANSPORT
Ref.: STRUCTURE OF A LIGANDED TYPE 2 NON-SPECIFIC LIPID-T PROTEIN FROM WHEAT AND THE MOLECULAR BASIS OF LIPID ACTA CRYSTALLOGR.,SECT.D V. 61 397 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1TUK - PGM C22 H44 O9 P CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 1TUK - PGM C22 H44 O9 P CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 1TUK - PGM C22 H44 O9 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PGM; Similar ligands found: 70
No: Ligand ECFP6 Tc MDL keys Tc
1 PGM 1 1
2 NKN 0.672414 0.888889
3 NKO 0.672414 0.888889
4 GYM 0.666667 0.744186
5 1QW 0.666667 0.744186
6 CDL 0.641791 0.886364
7 AGA 0.637681 0.977273
8 P3A 0.623377 0.955556
9 NKP 0.58209 0.869565
10 OLB 0.571429 0.727273
11 OLC 0.571429 0.727273
12 LP3 0.557143 0.719298
13 LAP 0.557143 0.719298
14 LPC 0.557143 0.719298
15 MVC 0.546875 0.727273
16 78M 0.53125 0.727273
17 78N 0.53125 0.727273
18 LHG 0.520548 0.933333
19 PGT 0.520548 0.933333
20 S12 0.5 0.788462
21 42H 0.493671 0.706897
22 PX2 0.492754 0.866667
23 PX8 0.492754 0.866667
24 DGA 0.484375 0.681818
25 L2C 0.484375 0.681818
26 FAW 0.484375 0.681818
27 DDR 0.484375 0.681818
28 3PE 0.473684 0.764706
29 CD4 0.472973 0.888889
30 D3D 0.463415 0.913043
31 PGW 0.463415 0.913043
32 MC3 0.461538 0.672727
33 PCF 0.461538 0.672727
34 PC1 0.461538 0.672727
35 DR9 0.457831 0.913043
36 PGV 0.457831 0.913043
37 6PH 0.457143 0.847826
38 LPP 0.457143 0.847826
39 3PH 0.457143 0.847826
40 F57 0.457143 0.847826
41 7PH 0.457143 0.847826
42 P6L 0.452381 0.913043
43 PGK 0.452381 0.875
44 7P9 0.450704 0.847826
45 OZ2 0.447059 0.913043
46 TGL 0.444444 0.636364
47 CN6 0.4375 0.888889
48 DGG 0.436782 0.875
49 LBR 0.43662 0.666667
50 PVC 0.434783 0.680851
51 CN5 0.428571 0.869565
52 CN3 0.426829 0.888889
53 44G 0.426667 0.933333
54 1AG 0.414286 0.727273
55 POV 0.413793 0.660714
56 L9R 0.413793 0.660714
57 P5S 0.4125 0.788462
58 PEH 0.410256 0.773585
59 PEV 0.410256 0.773585
60 8PE 0.410256 0.773585
61 PTY 0.410256 0.773585
62 PEF 0.410256 0.773585
63 2JT 0.409836 0.681818
64 G2A 0.409836 0.681818
65 PD7 0.408451 0.847826
66 M7U 0.405063 0.847826
67 9PE 0.405063 0.773585
68 D21 0.405063 0.829787
69 PEE 0.405063 0.792453
70 PIE 0.404494 0.784314
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1TUK; Ligand: PGM; Similar sites found with APoc: 18
This union binding pocket(no: 1) in the query (biounit: 1tuk.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4HIA FMN None
2 2Z6C FMN None
3 6GG9 FMN None
4 1YRX FMN None
5 5ZI9 FLC None
6 1Z0S ATP None
7 5ERR ADP 2.98507
8 4UDK BMA 2.98507
9 1RJW ETF 8.95522
10 4GCZ FMN 10.4478
11 5LX9 OLB 11.9403
12 5SVV FMN 11.9403
13 3L9R L9Q 14.9254
14 2ALG DAO 16.4179
15 4G86 BNT 16.4179
16 4OAS 2SW 26.8657
17 3VOZ 04A 37.3134
18 2VHW NAI 38.806
Pocket No.: 2; Query (leader) PDB : 1TUK; Ligand: PGM; Similar sites found with APoc: 201
This union binding pocket(no: 2) in the query (biounit: 1tuk.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 3P7N FMN None
2 4DSG UDP None
3 4DSG FAD None
4 4WUJ FMN None
5 2OI2 DP6 None
6 4EES FMN None
7 2PR5 FMN None
8 5EPO TUD None
9 5DJT FMN None
10 5DKK FMN None
11 4A2B AGS None
12 6GBV FMN None
13 5N9T 8QQ None
14 2Z6D FMN None
15 2GJ3 FAD None
16 2ODE ALF GDP None
17 3T50 FMN None
18 5IXH OTP None
19 3UXM 0DN None
20 5BVE 4VG None
21 2XD9 XD9 None
22 1Y3A GDP None
23 3RK0 AMP None
24 4K49 HFQ None
25 2C3Q GTX None
26 2NXW TPP None
27 5TV6 PML None
28 1BH2 GSP None
29 5O2D 9HH None
30 4O08 PO6 None
31 1SVK ALF GDP None
32 2V0U FMN None
33 3JZB 4HY None
34 3AB3 GDP None
35 1ZCB GDP None
36 6AD9 KK4 None
37 2FXU BID None
38 2XB8 XNW None
39 5TWJ SAM None
40 5FM0 WAQ None
41 4QJR PIZ None
42 5IDM ANP None
43 4ELG 52J None
44 2WKQ FMN None
45 4A2A ATP None
46 1XPM CAA None
47 3D36 ADP None
48 1M13 HYF None
49 1I1D COA None
50 1K7L 544 None
51 5W3K 9TY None
52 1ZDT PEF None
53 4R38 RBF None
54 4Y30 SAH None
55 4UHF BUA None
56 4JD3 PLM None
57 5UFS 1TA None
58 3WYJ H78 None
59 5JPH COA None
60 5W3K NDP None
61 4JGX PLM None
62 5A89 FMN None
63 5A89 ADP None
64 1UPF URF None
65 4EMI NAD None
66 4WPF 3SN None
67 3KMZ EQO None
68 1KO8 6PG None
69 3D04 SAK None
70 6CR2 LFV None
71 4Q9M FPP None
72 3D72 FAD None
73 3N8K D1X None
74 3T64 DU3 None
75 5X8Q 82R None
76 4V03 ADP None
77 3OJF IMJ None
78 3OJF NDP None
79 4K4D HFQ None
80 1ORR CDP None
81 6F6E PLM None
82 3GZ9 D32 None
83 3AL3 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 2.98507
84 4KBY C2E 2.98507
85 2E2P ADP 2.98507
86 1LDN NAD 2.98507
87 5LOF 70R 2.98507
88 6AU6 GDP 2.98507
89 4POW OP1 2.98507
90 4MGD 27N 2.98507
91 4YC9 4C1 2.98507
92 2PID YSA 3.08989
93 4IGH 1EA 4.47761
94 4IGH ORO 4.47761
95 4IGH FMN 4.47761
96 3DAK ANP 4.47761
97 3WVS RRM 4.47761
98 4XVX P6G FDA 4.47761
99 4P6X HCY 4.47761
100 5FPN KYD 4.47761
101 5FPE 3TR 4.47761
102 2W41 ADP 5.97015
103 2C78 PUL 5.97015
104 1NVT NAP 5.97015
105 5DEP UD1 5.97015
106 1Q2C COA 5.97015
107 4YDQ ANP 5.97015
108 4YDQ HFG 5.97015
109 4XDY HIO 5.97015
110 2ISJ FMN 5.97015
111 4LZJ 22H 5.97015
112 4XZ3 COA 5.97015
113 5J6D 6H5 7.46269
114 3KOX Z98 7.46269
115 3OID TCL 7.46269
116 4REP FAD 7.46269
117 5ZKC 3C0 7.46269
118 4J8O SAH 7.46269
119 1ZOA 140 7.46269
120 4M0R 644 7.46269
121 2I0G I0G 7.46269
122 4GOX A3P 7.46269
123 3GKJ HC3 7.46269
124 5GQX GLC GLC GLC 7.46269
125 4ZAD 4LU 7.46269
126 2E9L OLA 8.95522
127 2E9L BGC 8.95522
128 2E9L PLM 8.95522
129 3E8N ATP 8.95522
130 3E8N VRA 8.95522
131 5EHZ 5NZ 8.95522
132 1NYT NAP 8.95522
133 2CFU 1DB 8.95522
134 1QMG DMV 8.95522
135 5DJU FMN 9.83607
136 3EWP APR 10.4478
137 6CRK GDP 10.4478
138 2YPO PHE 10.4478
139 3BZ3 YAM 10.4478
140 1WUU ANP 10.4478
141 5I60 67W 10.4478
142 3GON PMV 10.4478
143 1T0S BML 10.4478
144 4PNE SAH 10.4478
145 3ROE THM 10.4478
146 1XL8 OCB 10.4478
147 3WYF GTP 10.4478
148 5EFW FMN 11.6667
149 2OBD PCW 11.9403
150 4XDA RIB 11.9403
151 5UWA 8ND 11.9403
152 5NJI 8Z2 11.9403
153 3EUT DCR 11.9403
154 3W68 VIV 11.9403
155 1RX0 FAD 11.9403
156 1NF3 GNP 11.9403
157 6APL C5P 11.9403
158 4YSX EPH 11.9403
159 4FOU C2E 11.9403
160 5WIU AQD 11.9403
161 1CS4 GSP 11.9403
162 5VRH PLM 11.9403
163 3KC1 2T6 13.4328
164 4P53 NAI 13.4328
165 5TZ6 7OD 13.4328
166 1Q9I FAD 13.4328
167 1Q9I TEO 13.4328
168 1X9D SMD 13.4328
169 1I9G SAM 13.4328
170 3IDB ANP 13.4328
171 4CQE CQE 13.4328
172 3KO8 NAD 13.4328
173 6F68 GSH 14.9254
174 1FQK GDP 14.9254
175 5HES 032 14.9254
176 1FQJ GDP 14.9254
177 1TAD ALF 14.9254
178 1TAD GDP 14.9254
179 3QWB NDP 14.9254
180 2C9E PID 14.9254
181 2CJF RP4 14.9254
182 5OSW DIU 14.9254
183 5DP2 NAP 14.9254
184 5F2T PLM 14.9254
185 2JFZ DGL 16.4179
186 2JFZ 003 16.4179
187 3GJX GTP 16.4179
188 4KQW NAP 17.9104
189 3QQA TCH 17.9104
190 5YGE ACO 19.403
191 5YGE GLU 19.403
192 3EYA FAD 20.8955
193 3ZCN ATP 22.3881
194 1E5Q NDP 22.3881
195 4NSQ COA 23.8806
196 1M2W NAD 25.3731
197 4LH7 NMN 25.3731
198 3DDC GNP 26.8657
199 3KUD GDP 26.8657
200 2HGS ADP 28.3582
201 2O7B HC4 31.3433
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