Receptor
PDB id Resolution Class Description Source Keywords
5eq9 1.36 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF MEDICAGO TRUNCATULA HISTIDINOL-PHOSPHAT PHOSPHATASE (MTHPP) IN COMPLEX WITH L-HISTIDINOL PHOSPHATE MEDICAGO TRUNCATULA HISTIDINE BIOSYNTHESIS METABOLIC PATHWAYS DIMER PLANT BIOSYNTHETIC PROTEIN
Ref.: STRUCTURAL STUDIES OF MEDICAGO TRUNCATULA HISTIDINO PHOSPHATE PHOSPHATASE FROM INOSITOL MONOPHOSPHATASE SUPERFAMILY REVEAL DETAILS OF PENULTIMATE STEP OF H BIOSYNTHESIS IN PLANTS. J.BIOL.CHEM. V. 291 9960 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HSA C:401;
B:401;
D:401;
A:401;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
221.151 C6 H12 N3 O4 P c1c(n...
MG A:402;
D:402;
B:402;
C:402;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
24.305 Mg [Mg+2...
GOL D:403;
 Invalid;
 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
5EQ8 1.3 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF MEDICAGO TRUNCATULA HISTIDINOL-PHOSPHAT PHOSPHATASE (MTHPP) IN COMPLEX WITH L-HISTIDINOL MEDICAGO TRUNCATULA HISTIDINE BIOSYNTHESIS METABOLIC PATHWAYS DIMER PLANT BIOSYNTHETIC PROTEIN
Ref.: STRUCTURAL STUDIES OF MEDICAGO TRUNCATULA HISTIDINO PHOSPHATE PHOSPHATASE FROM INOSITOL MONOPHOSPHATASE SUPERFAMILY REVEAL DETAILS OF PENULTIMATE STEP OF H BIOSYNTHESIS IN PLANTS. J.BIOL.CHEM. V. 291 9960 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 313 families.
1 5EQ8 - HSO C6 H12 N3 O c1c([nH+]c....
2 5EQ9 - HSA C6 H12 N3 O4 P c1c(nc[nH]....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 277 families.
1 5EQ8 - HSO C6 H12 N3 O c1c([nH+]c....
2 5EQ9 - HSA C6 H12 N3 O4 P c1c(nc[nH]....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 5EQ8 - HSO C6 H12 N3 O c1c([nH+]c....
2 5EQ9 - HSA C6 H12 N3 O4 P c1c(nc[nH]....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HSA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 HSA 1 1
2 PSE 0.47619 0.632653
Similar Ligands (3D)
Ligand no: 1; Ligand: HSA; Similar ligands found: 227
No: Ligand Similarity coefficient
1 1PS 0.9384
2 RES 0.9322
3 EGV 0.9321
4 D53 0.9320
5 5LD 0.9245
6 M5B 0.9192
7 5RP 0.9174
8 5DL 0.9172
9 AZM 0.9145
10 MZM 0.9128
11 5SP 0.9126
12 GHQ 0.9111
13 4TP 0.9110
14 U7E 0.9099
15 R10 0.9089
16 5TO 0.9076
17 DXP 0.9076
18 PNP 0.9073
19 GGG 0.9067
20 1AE 0.9053
21 DI9 0.9041
22 L1T 0.9038
23 PA5 0.9033
24 A5P 0.9029
25 PTB 0.9019
26 IJ6 0.9018
27 S6P 0.9015
28 MGB 0.9014
29 E8U 0.9013
30 DX5 0.9012
31 4NP 0.8998
32 HLP 0.8997
33 TX4 0.8995
34 6C8 0.8991
35 MKN 0.8988
36 G14 0.8981
37 2J3 0.8981
38 6C9 0.8977
39 ARG 0.8973
40 GVA 0.8970
41 LXP 0.8967
42 P93 0.8967
43 3CX 0.8958
44 BGT 0.8957
45 R5P 0.8949
46 R52 0.8949
47 VM1 0.8949
48 XI7 0.8948
49 KLS 0.8948
50 RGP 0.8947
51 7O4 0.8943
52 49P 0.8939
53 0ON 0.8937
54 DAR 0.8932
55 JMG 0.8931
56 GK8 0.8930
57 S8G 0.8926
58 4NS 0.8920
59 M3L 0.8920
60 6FG 0.8918
61 6C5 0.8916
62 RDV 0.8912
63 6C4 0.8911
64 AVA 0.8907
65 68B 0.8905
66 MFY 0.8899
67 TBJ 0.8896
68 BSA 0.8895
69 ODK 0.8893
70 5PV 0.8893
71 IPE 0.8888
72 E4P 0.8886
73 GGB 0.8881
74 AVO 0.8881
75 LEL 0.8878
76 D2G 0.8876
77 F6R 0.8874
78 VFG 0.8874
79 PML 0.8873
80 SB7 0.8862
81 VFM 0.8856
82 JFM 0.8855
83 11X 0.8853
84 AGP 0.8850
85 D1G 0.8837
86 DMA 0.8836
87 657 0.8831
88 4AU 0.8831
89 PMV 0.8830
90 3GZ 0.8828
91 LPA 0.8825
92 5F8 0.8823
93 Q06 0.8822
94 MD6 0.8821
95 TZP 0.8815
96 0QA 0.8814
97 DEZ 0.8811
98 5WN 0.8809
99 HRG 0.8808
100 M6R 0.8805
101 ALY 0.8796
102 DY8 0.8794
103 6MW 0.8792
104 NFZ 0.8792
105 2O8 0.8789
106 1HS 0.8789
107 3VQ 0.8784
108 KPC 0.8782
109 G6Q 0.8778
110 ALA GLU 0.8778
111 5OY 0.8778
112 3KJ 0.8777
113 BZM 0.8775
114 3XH 0.8775
115 ILO 0.8773
116 G88 0.8772
117 S7D 0.8771
118 CT0 0.8770
119 D9Z 0.8769
120 K48 0.8767
121 1N5 0.8766
122 5FL 0.8764
123 DED 0.8763
124 6FR 0.8762
125 EUH 0.8759
126 LFQ 0.8758
127 5DS 0.8757
128 5F5 0.8756
129 2E6 0.8755
130 GNR 0.8754
131 1ER 0.8754
132 8CC 0.8750
133 FHV 0.8749
134 PRO GLY 0.8742
135 EWG 0.8741
136 NK5 0.8739
137 DA2 0.8736
138 VGS 0.8736
139 C26 0.8731
140 WT2 0.8730
141 BZQ 0.8730
142 API 0.8727
143 M28 0.8727
144 DNN 0.8726
145 BL0 0.8724
146 JX7 0.8724
147 YE6 0.8723
148 DST 0.8722
149 ZZA 0.8720
150 4JK 0.8714
151 HL6 0.8713
152 YTZ 0.8712
153 JF5 0.8711
154 ZZU 0.8709
155 EV2 0.8707
156 PUE 0.8705
157 X6P 0.8702
158 2E4 0.8699
159 4MB 0.8699
160 8YH 0.8698
161 2E5 0.8698
162 4TB 0.8696
163 UN3 0.8694
164 EXY 0.8694
165 TRP 0.8693
166 S7G 0.8687
167 STV 0.8686
168 EIP 0.8684
169 CIR 0.8680
170 58X 0.8679
171 KPV 0.8677
172 BVS 0.8675
173 IAR 0.8673
174 36M 0.8672
175 S8P 0.8668
176 5GT 0.8668
177 IPR 0.8667
178 KNA 0.8667
179 DG2 0.8664
180 CLT 0.8662
181 OCA 0.8657
182 KYN 0.8656
183 SYE 0.8654
184 22F 0.8650
185 GG8 0.8643
186 6PG 0.8639
187 DBE 0.8639
188 NBB 0.8638
189 AEP 0.8635
190 NPI 0.8635
191 4ZD 0.8634
192 PAN 0.8631
193 DA3 0.8626
194 ENW 0.8622
195 3VW 0.8617
196 0O3 0.8616
197 FCD 0.8614
198 KLE 0.8613
199 N8C 0.8613
200 26P 0.8613
201 TPM 0.8612
202 7UC 0.8610
203 WVV 0.8609
204 I58 0.8607
205 DKA 0.8604
206 D3G 0.8604
207 SFY 0.8603
208 2BQ 0.8597
209 MLY 0.8595
210 AHL 0.8595
211 0OM 0.8580
212 E79 0.8576
213 AUV 0.8570
214 ENV 0.8566
215 2OR 0.8562
216 D4G 0.8561
217 OA1 0.8560
218 ALA GLN 0.8556
219 J4K 0.8556
220 LVD 0.8555
221 NLQ 0.8546
222 TG6 0.8544
223 CH5 0.8543
224 536 0.8533
225 ALA ZGL 0.8526
226 XRX 0.8521
227 A9B 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5EQ8; Ligand: HSO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5eq8.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5EQ8; Ligand: HSO; 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: 5eq8.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback