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Receptor
PDB id Resolution Class Description Source Keywords
1JQN 2.35 Å EC: 4.1.1.31 CRYSTAL STRUCTURE OF E.COLI PHOSPHOENOLPYRUVATE CARBOXYLASE WITH MN2+ AND DCDP ESCHERICHIA COLI BETA BARREL MN2+ AND DCDP COMPLEX LYASE
Ref.: CRYSTAL STRUCTURES OF C4 FORM MAIZE AND QUATERNARY OF E. COLI PHOSPHOENOLPYRUVATE CARBOXYLASES. STRUCTURE V. 10 1721 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DCO A:901;
Valid;
none;
submit data
234.959 C4 H5 Cl2 O5 P C(C(=...
MN A:902;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JQN 2.35 Å EC: 4.1.1.31 CRYSTAL STRUCTURE OF E.COLI PHOSPHOENOLPYRUVATE CARBOXYLASE WITH MN2+ AND DCDP ESCHERICHIA COLI BETA BARREL MN2+ AND DCDP COMPLEX LYASE
Ref.: CRYSTAL STRUCTURES OF C4 FORM MAIZE AND QUATERNARY OF E. COLI PHOSPHOENOLPYRUVATE CARBOXYLASES. STRUCTURE V. 10 1721 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1JQN - DCO C4 H5 Cl2 O5 P C(C(=C(Cl)....
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 1JQN - DCO C4 H5 Cl2 O5 P C(C(=C(Cl)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1JQN - DCO C4 H5 Cl2 O5 P C(C(=C(Cl)....
2 3ZGE - ASP C4 H7 N O4 C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DCO; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 DCO 1 1
2 PAE 0.5 0.714286
3 PPR 0.5 0.722222
4 7VD 0.423077 0.621622
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JQN; Ligand: DCO; Similar sites found with APoc: 158
This union binding pocket(no: 1) in the query (biounit: 1jqn.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 3CV2 OXL 1.31579
2 6C6O ENG 1.34953
3 3E9I XAH 1.41988
4 4IP7 FLC 1.4733
5 1H82 GZZ 1.48305
6 1H82 FAD 1.48305
7 6G0X RAM GLC GLA NAG NDG NAG 1.5025
8 4U31 MVP 1.61054
9 6E1Q CFA 1.68067
10 6HL8 GUA 1.69972
11 1Z82 NDP 1.79104
12 4AF0 IMP 1.79856
13 3BZ3 YAM 1.81159
14 2FSH ANP 1.99297
15 4KCT PYR 2.00401
16 2BO4 FLC 2.01511
17 5H68 AGS 2.05882
18 5XQL C2E 2.06186
19 5C9P FUC 2.09974
20 4DCT GDP 2.19298
21 2G50 PYR 2.45283
22 1P7T PYR 2.46238
23 3AWJ COA 2.48756
24 1D8C GLV 2.48963
25 2WSA 646 2.51142
26 2WSA MYA 2.51142
27 4IHQ ADP 2.53411
28 5TSH ADP 2.55102
29 5EW9 5VC 2.58303
30 2TPS TPS 2.64317
31 2BMB PMM 2.75229
32 6G5Q EMZ 3.00752
33 5KD6 6C7 3.10263
34 1QPR PPC 3.16901
35 1X1Z BMP 3.1746
36 3FIU POP 3.21285
37 2GU8 796 3.2641
38 5BVE 4VG 3.3241
39 5L2R MLA 3.39751
40 3HQP OXL 3.40681
41 1B7Y FYA 3.42857
42 5AK0 8V1 3.46154
43 2BEK ATP 3.50195
44 3NEM AMO 3.65297
45 2DPY ADP 3.65297
46 1YFS ALA 3.65591
47 2XZ9 PYR 3.7037
48 2WLG SOP 3.72093
49 5XDR ADP 3.76812
50 4FWE FAD 3.76884
51 5GLN XYP XYP XYP 3.77907
52 5FUI APY 3.78788
53 3W9F I3P 3.84615
54 3HPY MCT 3.8835
55 1K27 MTM 3.88693
56 5TS5 FAD 3.92562
57 5UWA 8ND 3.94089
58 4WCX ALA 3.95833
59 3TBK ANP 3.96396
60 1JG9 GLC 3.98089
61 2C6Q NDP 3.9886
62 2C6Q IMP 3.9886
63 2XAU ADP 4.01035
64 3H4L ANP 4.08719
65 4LJ9 ACP 4.12979
66 1OFZ FUC 4.16667
67 5XFV FMN 4.19162
68 2AWN ADP 4.19948
69 1TUV VK3 4.38596
70 1H74 ILE 4.39189
71 1H74 ADP 4.39189
72 4D1J DGJ 4.44444
73 5LTJ ADP 4.48179
74 4FCW ADP 4.50161
75 2ZPA ADP 4.61997
76 1FNZ A2G 4.64135
77 5WRI A3P 4.6875
78 4NDO ATP 4.71014
79 2NCD ADP 4.7619
80 2X1L MET 4.77099
81 4L80 OXL 4.88506
82 2J3M PRI 4.8951
83 2J3M ATP 4.8951
84 4FRZ ADP 4.92228
85 1GPE FAD 4.94037
86 1RJ9 GCP 5
87 2OG2 MLI 5.01393
88 5YJS SAL 5.12821
89 2A8Y MTA 5.18518
90 3H4S ADP 5.18518
91 3G6K FAD 5.19481
92 5D48 L96 5.26316
93 1VBH PEP 5.54926
94 5WS9 ATP 5.68421
95 5WS9 OXL 5.68421
96 4PPF FLC 5.71429
97 5VHC BEF ADP 5.74713
98 4Z0G 5GP 5.81114
99 1R4A GNP 5.88235
100 3B9Q MLI 5.96026
101 1Q19 SSC 5.96421
102 3NV6 CAM 5.97345
103 5ALC TIQ 5.98291
104 1KC7 PPR 6.11552
105 4X7Y SAH 6.20438
106 3EEB IHP 6.2201
107 2ZTS ADP 6.34202
108 4UTG ANP 6.35838
109 2Q8Z NUP 6.43275
110 6GNO XDI 6.66667
111 4Z87 5GP 6.66667
112 2OBM ADP 6.91643
113 1SU2 ATP 6.91824
114 6FA4 D1W 6.93642
115 2XGT NSS 7.12644
116 3AJ4 SEP 7.14286
117 1IIM TTP 7.19178
118 1D6H COA 7.23514
119 2V5K OXM 7.31707
120 3X27 TRP 7.46269
121 6FAA ADP 7.48092
122 2ZE7 AMP 7.50988
123 6EWZ APC 7.59494
124 5F3I 5UJ 7.77778
125 5NM7 GLY 7.89474
126 1IZC PYR 7.9646
127 2W5P CL8 8.05369
128 4U00 ADP 8.19672
129 4B5W PYR 8.20312
130 4CVN ADP 8.37696
131 2Q1W NAD 9.00901
132 1Z0N BCD 9.375
133 6DZN AE3 9.73451
134 3NZ1 3NY 9.96169
135 4J7H TLO 9.97877
136 4K79 GAL A2G 10
137 2XMY CDK 10.0671
138 4KFU ACP 10.3774
139 1XX6 ADP 10.4712
140 5FLJ QUE 10.7527
141 5XVG 8FX 11.2628
142 2A2C NG1 11.2971
143 2A2C ADP 11.2971
144 2VWT PYR 12.3596
145 3DZ6 M8E 13.4328
146 1JNR FAD 14
147 4YEF 4CQ 14.6067
148 1ZUA TOL 15.4574
149 3G08 FEE 16.1616
150 4NTO 1PW 16.4251
151 4L9Z COA 16.5192
152 4L9Z OXL 16.5192
153 1GXU 2HP 18.6813
154 5KK4 44E 18.75
155 4CQK PIO 19.1489
156 1C9K 5GP 20
157 2VOH CIT 26.9231
158 3PVW QRX 29.7297
Pocket No.: 2; Query (leader) PDB : 1JQN; Ligand: DCO; 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: 1jqn.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1JQN; Ligand: DCO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1jqn.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1JQN; Ligand: DCO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1jqn.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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