Receptor
PDB id Resolution Class Description Source Keywords
4Q0S 1.93 Å EC: 5.3.1.- CRYSTAL STRUCTURE OF ACINETOBACTER SP. DL28 L-RIBOSE ISOMERA COMPLEX WITH RIBITOL ACINETOBACTER CUPIN BARREL ISOMERASE SUGAR BINDING
Ref.: X-RAY STRUCTURE OF A NOVEL L-RIBOSE ISOMERASE ACTIN NON-NATURAL SUGAR L-RIBOSE AS ITS IDEAL SUBSTRATE FEBS J. 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RB0 A:503;
A:502;
 Invalid;
Valid;
 none;
none;
 submit data
152.146 C5 H12 O5 C([C@...
NCO A:504;
 Part of Protein;
 none;
 submit data
161.116 Co H18 N6 [NH3]...
CO A:501;
 Part of Protein;
 none;
 submit data
58.933 Co [Co+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4Q0P 1.93 Å EC: 5.3.1.- CRYSTAL STRUCTURE OF ACINETOBACTER SP. DL28 L-RIBOSE ISOMERA COMPLEX WITH L-RIBOSE ACINETOBACTER CUPIN BARREL ISOMERASE SUGAR BINDING
Ref.: X-RAY STRUCTURE OF A NOVEL L-RIBOSE ISOMERASE ACTIN NON-NATURAL SUGAR L-RIBOSE AS ITS IDEAL SUBSTRATE FEBS J. 2014
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4Q0Q - RUU C5 H10 O5 C1[C@@H]([....
2 4Q0P - 0MK C5 H10 O5 C1[C@@H]([....
3 4Q0V - QDK C5 H10 O5 C([C@@H]([....
4 4Q0S - RB0 C5 H12 O5 C([C@H](C(....
5 4Q0U - ROR C5 H10 O5 C([C@@H]([....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 29 families.
1 3WW4 - WOO C6 H12 O6 C([C@H]1[C....
2 3WW2 - SF9 C6 H12 O6 C([C@H]1[C....
3 3WW1 - 0MK C5 H10 O5 C1[C@@H]([....
4 4Q0Q - RUU C5 H10 O5 C1[C@@H]([....
5 4Q0P - 0MK C5 H10 O5 C1[C@@H]([....
6 4Q0V - QDK C5 H10 O5 C([C@@H]([....
7 4Q0S - RB0 C5 H12 O5 C([C@H](C(....
8 4Q0U - ROR C5 H10 O5 C([C@@H]([....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 3WW4 - WOO C6 H12 O6 C([C@H]1[C....
2 3WW2 - SF9 C6 H12 O6 C([C@H]1[C....
3 3WW1 - 0MK C5 H10 O5 C1[C@@H]([....
4 4Q0Q - RUU C5 H10 O5 C1[C@@H]([....
5 4Q0P - 0MK C5 H10 O5 C1[C@@H]([....
6 4Q0V - QDK C5 H10 O5 C([C@@H]([....
7 4Q0S - RB0 C5 H12 O5 C([C@H](C(....
8 4Q0U - ROR C5 H10 O5 C([C@@H]([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: RB0; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 RB0 1 1
2 XYL 1 1
3 MTL 0.625 0.954545
4 SOR 0.625 0.954545
5 DTL 0.533333 0.913043
6 MRY 0.533333 0.913043
7 03W 0.5 0.791667
8 RNT 0.454545 0.869565
9 FOC 0.454545 0.869565
10 DX5 0.428571 0.647059
11 A5P 0.428571 0.647059
12 LXP 0.428571 0.647059
13 RB5 0.416667 0.869565
14 ROR 0.416667 0.869565
15 XLS 0.416667 0.869565
16 GOL 0.4 0.863636
Similar Ligands (3D)
Ligand no: 1; Ligand: RB0; Similar ligands found: 207
No: Ligand Similarity coefficient
1 QDK 0.9888
2 RBL 0.9791
3 EHM 0.9622
4 ILE 0.9570
5 MAE 0.9446
6 IFM 0.9419
7 GLY ALA 0.9402
8 VAH 0.9352
9 GLN 0.9345
10 OAA 0.9345
11 SRT 0.9323
12 23W 0.9304
13 XUL 0.9285
14 CRN 0.9276
15 9YL 0.9276
16 TAR 0.9259
17 THE 0.9244
18 RNS 0.9232
19 MLT 0.9231
20 TZL 0.9229
21 CMS 0.9228
22 VAL 0.9227
23 ASP 0.9227
24 EDG 0.9226
25 PAF 0.9226
26 LMR 0.9223
27 AOS 0.9221
28 ZBT 0.9221
29 NVA 0.9219
30 PSJ 0.9213
31 HCS 0.9211
32 AZF 0.9210
33 G3H 0.9209
34 SIN 0.9208
35 1AB 0.9206
36 G3P 0.9206
37 4SD 0.9205
38 9X7 0.9205
39 TLA 0.9205
40 TAG 0.9203
41 IFL 0.9185
42 HYA 0.9184
43 13P 0.9184
44 HDA 0.9183
45 HSE 0.9183
46 DPF 0.9177
47 FSG 0.9169
48 4CS 0.9164
49 HIO 0.9164
50 5FX 0.9162
51 LRH 0.9161
52 MUC 0.9153
53 AKB 0.9151
54 COI 0.9149
55 IOM 0.9149
56 AL0 0.9141
57 ASN 0.9140
58 DAS 0.9140
59 RUU 0.9140
60 TMH 0.9128
61 R2B 0.9126
62 3BU 0.9122
63 98J 0.9121
64 CYX 0.9110
65 AKG 0.9109
66 SDD 0.9107
67 R1X 0.9106
68 PEP 0.9105
69 LEU 0.9101
70 5HY 0.9085
71 HYP 0.9083
72 K6H 0.9083
73 ICF 0.9082
74 RAT 0.9081
75 DMJ 0.9079
76 3PG 0.9076
77 DGL 0.9073
78 TEO 0.9070
79 Z6J 0.9060
80 ORN 0.9060
81 M6W 0.9057
82 FUD 0.9057
83 DMV 0.9052
84 HZP 0.9051
85 KPL 0.9051
86 LDU 0.9048
87 AC5 0.9047
88 2AS 0.9045
89 LNO 0.9043
90 BGC 0.9039
91 I2M 0.9039
92 SKG 0.9032
93 DTU 0.9028
94 GLL 0.9027
95 SKJ 0.9023
96 ALO 0.9020
97 2RH 0.9017
98 SD4 0.9016
99 HX2 0.9014
100 2AL 0.9011
101 MEV 0.9010
102 GG6 0.9006
103 4XR 0.9005
104 GUA 0.9003
105 KDG 0.8995
106 MD0 0.8989
107 MEQ 0.8989
108 LFC 0.8986
109 G2H 0.8979
110 GYE 0.8979
111 PG3 0.8978
112 34V 0.8971
113 DCL 0.8969
114 R8S 0.8967
115 SF6 0.8965
116 6JN 0.8965
117 LER 0.8964
118 RIB 0.8963
119 LPK 0.8959
120 FUB 0.8957
121 AHB 0.8956
122 9J3 0.8954
123 GLY CYS 0.8954
124 5XB 0.8945
125 9TY 0.8942
126 7BC 0.8933
127 KDF 0.8928
128 OKG 0.8924
129 CIZ 0.8921
130 ITN 0.8920
131 6LW 0.8919
132 1GP 0.8907
133 DXX 0.8906
134 IMR 0.8904
135 GP9 0.8903
136 DAV 0.8902
137 DPJ 0.8902
138 AH8 0.8900
139 IXW 0.8899
140 G4D 0.8895
141 FRU 0.8885
142 DAL DAL 0.8883
143 2FT 0.8880
144 8EW 0.8880
145 DIG 0.8878
146 PSV 0.8861
147 7A8 0.8858
148 8S0 0.8857
149 3HG 0.8853
150 2DR 0.8851
151 1CO 0.8851
152 OEM 0.8843
153 URQ 0.8841
154 MED 0.8837
155 NXA 0.8834
156 GLO 0.8833
157 3AL 0.8833
158 W81 0.8826
159 I38 0.8821
160 KMH 0.8818
161 32O 0.8815
162 SC2 0.8814
163 DGN 0.8814
164 DTT 0.8807
165 C5A 0.8802
166 PBE 0.8801
167 K6V 0.8797
168 DOR 0.8796
169 2HG 0.8795
170 2RA 0.8794
171 PG0 0.8791
172 BHH 0.8786
173 41K 0.8780
174 O7U 0.8780
175 MAH 0.8778
176 7UC 0.8776
177 CIT 0.8774
178 SOL 0.8773
179 1H1 0.8770
180 AUD 0.8764
181 1SP 0.8755
182 IPM 0.8755
183 HTX 0.8748
184 A3B 0.8747
185 HDL 0.8743
186 CNL 0.8738
187 BDR 0.8736
188 II6 0.8727
189 49F 0.8727
190 LTL 0.8720
191 IT9 0.8715
192 S2G 0.8710
193 FPK 0.8691
194 DAB 0.8686
195 CCB 0.8684
196 47J 0.8670
197 ONL 0.8666
198 8EZ 0.8664
199 GBN 0.8653
200 5XA 0.8633
201 2IT 0.8599
202 FLC 0.8595
203 DZA 0.8582
204 6NA 0.8581
205 TZZ 0.8553
206 VPR 0.8532
207 O8Y 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4Q0P; Ligand: 0MK; 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: 4q0p.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4Q0P; Ligand: 0MK; 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: 4q0p.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4Q0P; Ligand: 0MK; 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: 4q0p.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4Q0P; Ligand: 0MK; 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: 4q0p.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4Q0P; Ligand: 0MK; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4q0p.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4Q0P; Ligand: 0MK; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4q0p.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4Q0P; Ligand: 0MK; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4q0p.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4Q0P; Ligand: 0MK; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4q0p.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback