Receptor
PDB id Resolution Class Description Source Keywords
1VB3 2.2 Å EC: 4.2.3.1 CRYSTAL STRUCTURE OF THREONINE SYNTHASE FROM ESCHERICHIA COLI ESCHERICHIA COLI PLP-DEPENDENT ENZYME LYASE
Ref.: CRYSTAL STRUCTURE OF THREONINE SYNTHASE FROM ESCHERICHIA COLI TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KPA A:500;
 Valid;
 none;
 submit data
196.095 C5 H9 O6 P C(CC(...
SO4 A:501;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1VB3 2.2 Å EC: 4.2.3.1 CRYSTAL STRUCTURE OF THREONINE SYNTHASE FROM ESCHERICHIA COLI ESCHERICHIA COLI PLP-DEPENDENT ENZYME LYASE
Ref.: CRYSTAL STRUCTURE OF THREONINE SYNTHASE FROM ESCHERICHIA COLI TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1VB3 - KPA C5 H9 O6 P C(CC(=O)C(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1VB3 - KPA C5 H9 O6 P C(CC(=O)C(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1VB3 - KPA C5 H9 O6 P C(CC(=O)C(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: KPA; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 KPA 1 1
2 PPR 0.5 0.875
3 OOG 0.451613 0.612903
4 3PP 0.448276 0.870968
Similar Ligands (3D)
Ligand no: 1; Ligand: KPA; Similar ligands found: 192
No: Ligand Similarity coefficient
1 1PS 0.9632
2 MES 0.9561
3 FOM 0.9533
4 TZP 0.9454
5 3PG 0.9402
6 LUQ 0.9384
7 F98 0.9370
8 HBU 0.9369
9 DXP 0.9324
10 2JJ 0.9317
11 4TP 0.9300
12 HCI 0.9240
13 E4P 0.9240
14 RP5 0.9229
15 KDG 0.9219
16 PMF 0.9212
17 XRX 0.9211
18 5LD 0.9181
19 AT3 0.9175
20 DER 0.9175
21 JFM 0.9164
22 0L1 0.9149
23 KPC 0.9144
24 UN1 0.9136
25 DXG 0.9122
26 JX7 0.9102
27 O45 0.9091
28 650 0.9081
29 MF3 0.9075
30 GGB 0.9075
31 4TB 0.9073
32 GPJ 0.9072
33 ARG 0.9054
34 7BC 0.9054
35 GLR 0.9053
36 NNH 0.9052
37 FK8 0.9052
38 GRQ 0.9050
39 RP3 0.9049
40 DHM 0.9047
41 DX5 0.9047
42 GLU 0.9045
43 5DL 0.9043
44 CLT 0.9039
45 Q03 0.9038
46 IP8 0.9036
47 2NP 0.9035
48 GLN 0.9031
49 R5P 0.9031
50 MHO 0.9029
51 1X4 0.9028
52 GCO 0.9025
53 AHN 0.9023
54 API 0.9019
55 HGA 0.9016
56 PHE 0.9003
57 Q04 0.9001
58 DHI 0.9000
59 LYS 0.8997
60 SEP 0.8986
61 1BN 0.8983
62 Q9Z 0.8974
63 HIS 0.8972
64 CHH 0.8972
65 PPY 0.8966
66 DEZ 0.8964
67 GPF 0.8963
68 XRS 0.8962
69 M5E 0.8962
70 QFJ 0.8960
71 1HS 0.8952
72 152 0.8951
73 SLZ 0.8951
74 6HN 0.8950
75 7C3 0.8945
76 PO6 0.8942
77 DPN 0.8941
78 HFA 0.8934
79 DZA 0.8932
80 11C 0.8932
81 DAR 0.8931
82 ABF 0.8927
83 TYE 0.8926
84 7UC 0.8921
85 KNA 0.8917
86 5RP 0.8916
87 GGL 0.8915
88 3YP 0.8909
89 DTY 0.8903
90 B85 0.8900
91 SYC 0.8900
92 RTK 0.8893
93 2IT 0.8890
94 PBA 0.8889
95 KYN 0.8887
96 Q06 0.8886
97 SME 0.8885
98 Z70 0.8882
99 5OY 0.8880
100 ONH 0.8880
101 4ZD 0.8879
102 LX1 0.8878
103 ENO 0.8874
104 CXP 0.8867
105 RGP 0.8864
106 TYR 0.8857
107 P80 0.8852
108 MP5 0.8851
109 HPS 0.8850
110 S8V 0.8849
111 26P 0.8847
112 61M 0.8845
113 64Z 0.8840
114 ENW 0.8838
115 SB7 0.8837
116 5PV 0.8835
117 CS2 0.8833
118 NFA 0.8822
119 CUW 0.8815
120 GVA 0.8813
121 JZA 0.8811
122 3H2 0.8800
123 6XA 0.8795
124 7OD 0.8793
125 OSE 0.8791
126 M6H 0.8788
127 N9J 0.8780
128 MLY 0.8779
129 2FM 0.8776
130 TPO 0.8774
131 3QO 0.8773
132 PBN 0.8771
133 6J5 0.8768
134 5TO 0.8765
135 RES 0.8764
136 BCH 0.8764
137 HMS 0.8762
138 DIR 0.8756
139 HG3 0.8753
140 RAT 0.8752
141 8U3 0.8751
142 ACA 0.8746
143 TOH 0.8744
144 M3L 0.8737
145 NPI 0.8736
146 GAE 0.8735
147 56D 0.8731
148 8GL 0.8731
149 J9Y 0.8730
150 LVD 0.8729
151 IAR 0.8728
152 Q02 0.8724
153 J0Z 0.8721
154 ONL 0.8719
155 MTL 0.8694
156 RLG 0.8689
157 FF3 0.8686
158 SOR 0.8677
159 EXY 0.8676
160 S2G 0.8675
161 DI6 0.8674
162 BNF 0.8674
163 SG3 0.8668
164 HF2 0.8666
165 TX4 0.8664
166 0QW 0.8661
167 XI7 0.8660
168 PRA 0.8658
169 TZM 0.8657
170 5SP 0.8656
171 PFF 0.8653
172 58X 0.8652
173 HIC 0.8652
174 SOL 0.8648
175 9ON 0.8646
176 LFC 0.8631
177 EN1 0.8631
178 ISA 0.8627
179 F90 0.8615
180 TYC 0.8611
181 LXP 0.8611
182 9BF 0.8609
183 5XA 0.8599
184 IOP 0.8597
185 2D8 0.8587
186 BHH 0.8583
187 PJL 0.8566
188 F06 0.8561
189 QH3 0.8558
190 B40 0.8554
191 DHH 0.8545
192 MMS 0.8527
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1VB3; Ligand: KPA; 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: 1vb3.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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