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Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
Z6J A:504;
A:503;
Invalid;
Invalid;
none;
none;
submit data
150.13 C5 H10 O5 C([C@...
NCO A:506;
Invalid;
none;
submit data
161.116 Co H18 N6 [NH3]...
CO A:501;
Part of Protein;
none;
submit data
58.933 Co [Co+2...
0MK A:502;
A:505;
Valid;
Invalid;
none;
none;
submit data
150.13 C5 H10 O5 C1[C@...
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 5 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 26 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 19 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
Ligand no: 1; Ligand: 0MK; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 RIP 1 1
2 XYS 1 1
3 ARB 1 1
4 HSY 1 1
5 ARA 1 1
6 XYP 1 1
7 LXC 1 1
8 0MK 1 1
9 XYP XYS 0.414634 0.84375
10 BXP 0.414634 0.84375
11 XYS XYP 0.414634 0.84375
12 FU4 0.4 0.896552
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: 16
This union binding pocket(no: 1) in the query (biounit: 4q0p.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 3W68 PBU 1.92308
2 3S5W NAP 1.92308
3 4IGH ORO 1.92308
4 4IGH FMN 1.92308
5 4IGH 1EA 1.92308
6 2X34 UQ8 2.20994
7 1A8R GTP 2.71493
8 4M0R 644 3.69393
9 3OTH CLJ 4.23077
10 5AE2 FAD 5
11 5AE2 FYC 5
12 4J75 TYM 5.76923
13 4ORM ORO 7.69231
14 4ORM FMN 7.69231
15 4ORM 2V6 7.69231
16 5UAV NDP 8.07692
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: 219
This union binding pocket(no: 5) in the query (biounit: 4q0p.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
1 4V1F BQ1 None
2 2HRL SIA GAL SIA BGC NGA CEQ None
3 5YW5 ADE None
4 1UO5 PIH None
5 5EZU MYR None
6 2IXC TRH 1.15385
7 6CB2 OLC 1.53846
8 5W1E PHB 1.53846
9 6D61 4AA 1.53846
10 4XAC AKG 1.5873
11 6BR8 PGV 1.5873
12 4HSJ 6PC 1.72414
13 4UYW H1S 1.92308
14 5NBP BGC BGC BGC 1.92308
15 5EO8 TFU 1.92308
16 3WXL ADP 1.92308
17 1Q7E MET 1.92308
18 3B99 U51 1.92308
19 5T7I LAT NAG GAL 1.93548
20 4RYV ZEA 1.93548
21 1I82 BGC BGC 2.1164
22 5UC4 83S 2.27273
23 1P0Z FLC 2.29008
24 4F06 PHB 2.30769
25 5EPA AKG 2.30769
26 4D52 GIV 2.30769
27 1DE6 RNS 2.30769
28 3JQ3 ADP 2.30769
29 4HN1 TYD 2.48756
30 4H6B 10X 2.5641
31 2BHW NEX 2.58621
32 4O4Z N2O 2.5974
33 5KBE IPH 2.62009
34 6BR9 PGV 2.69231
35 1GQG DCD 2.69231
36 2HIM ASN 2.69231
37 3O2K DST 2.69231
38 2HIM ASP 2.69231
39 3JQQ A2P 2.69231
40 4XCB HY0 2.69231
41 2C1P FNZ 2.76498
42 2IUW AKG 2.94118
43 4FFG LBS 3.07692
44 4IGQ OGA 3.07692
45 4IGQ THR M3L GLN 3.07692
46 4BWL MN9 3.07692
47 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 3.07692
48 4C2C ALA ALA ALA 3.07692
49 4H69 10Y 3.09278
50 5U55 S0H 3.15789
51 5TPV TYD 3.26797
52 6B9T 2HE 3.46154
53 2DW7 SRT 3.46154
54 1WOG 16D 3.46154
55 5C3R HMU 3.46154
56 5C3R AKG 3.46154
57 5T8U LPA 3.46154
58 5IDB BMA 3.52113
59 1NYW DAU 3.5533
60 5WHT SIA GAL GLC 3.62319
61 1J3R 6PG 3.68421
62 3H9A PPY 3.7037
63 4OJ8 AKG 3.75427
64 4NPL AKG 3.84615
65 3B00 16A 3.84615
66 3WV6 GAL GLC 3.84615
67 5OO5 UUA 4.03226
68 1ZZ7 S0H 4.0404
69 3SCH TB6 4.0404
70 4QM9 CYS 4.04624
71 3T0W DIW 4.06504
72 1TV5 N8E 4.23077
73 3G3R ANP 4.23077
74 4GN8 ASO 4.23077
75 3KV4 OGA 4.23077
76 1NX4 AKG 4.23077
77 6F9G PUT 4.23077
78 2QCD U5P 4.23077
79 2GC0 PAN 4.25532
80 3H7J PPY 4.52675
81 4MRP GSH 4.56026
82 6BU0 IHP 4.58015
83 4YRD 3IT 4.61538
84 5E5U MLI 4.61538
85 4Y3O OGA 4.61538
86 3B9Z CO2 4.61538
87 4MLO PAM 4.61538
88 1OS7 AKG 4.61538
89 4CCK OGA 4.61538
90 4XDA RIB 4.61538
91 2CYB TYR 4.61538
92 5ZMY TAR 4.61538
93 2ZHL NAG GAL GAL NAG 4.72973
94 4BCS BTN 4.8
95 3MPB FRU 4.87805
96 3M3E GAL A2G NPO 4.96894
97 5NW7 9C2 5
98 5UQD AKG 5
99 5W0N UPU 5
100 3JU6 ANP 5
101 3N9Q OGA 5
102 3N9P OGA 5
103 3N9O OGA 5
104 4ZS4 ATP 5
105 3NOJ PYR 5.04202
106 4Y24 TD2 5.19481
107 4LHD GLY 5.38462
108 2BCG GER 5.38462
109 1OBD AMP 5.38462
110 5LX9 OLB 5.38462
111 5YJS SAL 5.38462
112 5I0U DCY 5.5
113 4WVW SLT 5.55556
114 1OGZ EQU 5.6
115 1SU2 ATP 5.66038
116 2D6M LBT 5.66038
117 5H9P TD2 5.6962
118 2QK4 ATP 5.76923
119 5VKM GAL SIA 5.76923
120 1KWK GAL 5.76923
121 1VRP ADP 5.76923
122 5FWE OGA 5.76923
123 3ZDS HMQ 5.76923
124 5GLT BGC GAL NAG GAL 5.76923
125 5LY2 OGA 5.76923
126 1KAR HSM 5.76923
127 3PGU OLA 5.76923
128 2A1X AKG 5.76923
129 5NM7 GLY 5.76923
130 5FII PHE 5.88235
131 3IWD M2T 5.88235
132 2V5E SCR 5.94059
133 3OYW TDG 5.97015
134 5TFZ 7BC 6
135 5GP0 GPP 6.04027
136 1OGX EQU 6.10687
137 4NAO AKG 6.15385
138 2GJ5 VD3 6.17284
139 5OCG 9R5 6.34921
140 2Z77 HE7 6.47482
141 2YKL NLD 6.48148
142 2OG7 SIN 6.53846
143 1SBR VIB 6.53846
144 5LWY OLB 6.54206
145 5LDQ NAP 6.77966
146 5JSP DQY 6.92308
147 2XUM OGA 6.92308
148 5JWP AKG 6.92308
149 3P3N AKG 6.92308
150 4B7E OGA 6.92308
151 2Y0I AKG 6.92308
152 2WA4 069 6.92308
153 5C1M OLC 6.92308
154 3BRN SRO 7.00637
155 5A67 3PO 7.07547
156 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 7.30769
157 5Y4K AKR 7.30769
158 1OIJ AKG 7.30769
159 1OIK AKG 7.30769
160 2J5B TYE 7.30769
161 1Y4Z PCI 7.30769
162 2DBX GLU 7.36842
163 4ZU4 4TG 7.43243
164 1FWV SGA MAG FUC 7.46269
165 2P7Q GG6 7.5188
166 5YBL AKG 7.69231
167 4P7X YCP 7.69231
168 4P7X AKG 7.69231
169 5FWJ MMK 7.69231
170 4RF7 ARG 7.69231
171 5EPQ OLA 7.92683
172 4G86 BNT 8.07692
173 4WOE ADP 8.07692
174 3SAO NKN 8.125
175 2VL1 GLY GLY 8.46154
176 2ARC ARA 8.53659
177 2B4B B33 8.77193
178 1GT4 UNA 8.80503
179 3PUA OGA 8.84615
180 1LRH NLA 9.20245
181 2GWH PCI 9.23077
182 3AVR OGA 9.23077
183 5I8T LAC 9.49721
184 5FLJ QUE 9.61539
185 6F6D AKG 9.61539
186 2FVK DUC 9.61539
187 5FQ0 FLC 9.64912
188 4YLZ LAT NAG GAL 9.80392
189 4IAW LIZ 10.1064
190 4J8T DOG 10.219
191 4WGF HX2 10.2439
192 4LIT AKG 10.3846
193 1HFU NAG NDG 10.7692
194 5NLD LBT 10.7914
195 6B9R 2HE 11.1538
196 4ZXA H8N 11.3095
197 2ET1 GLV 11.4428
198 1E4I NFG 11.5385
199 4YVN EBS 11.5385
200 3URB DPF 11.9231
201 2AGC DAO 12.3457
202 2AGC MYR 12.3457
203 1UYY BGC BGC 12.9771
204 5ZHO A2G GLA FUC 13.5802
205 2HHP FLC 13.8462
206 1Y9Q MED 15.1042
207 2BOS GLA GAL GLC 16.1765
208 5A61 3PO 17.6923
209 2Y69 CHD 18.5567
210 4ZU5 THM 19.4444
211 5FPX GLY SER SER HIS HIS HIS HIS HIS 19.469
212 5Z84 CHD 21.1765
213 5ZCO CHD 21.1765
214 6FA4 D1W 21.9653
215 1H2M OGA 23.0769
216 4K55 H6P 25.8065
217 1H2K OGA 29.2683
218 1NF8 BOG 29.9517
219 4QXB OGA 41.1765
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
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